SCHEMBL1408568

SCHEMBL1408568

O=Nc1ccc([O-])cc1.[Na+]

nearest known ligand 0.48

Known targets — ChEMBL curated mechanism

ABCC8ACEADORA1ADORA2AADORA2BADORA3ALDH5A1ALOX5ALOX5APATP4AATP4BBRAFCA1CA12CA2CA4CYSLTR1DHFRDPEP1EDNRAEDNRBESR2F10FDPSFGF1GABBR1GABBR2GABRA1GABRA2GABRA3GABRA4GABRA5GABRA6GABRB1GABRB2GABRB3GABRDGABREGABRG1GABRG2GABRG3GABRPGABRQGARTGNRHRGSC1HMGCRIMPDH1IMPDH2KCNJ11LY96NOD2NR3C1NS3NS4ANS5bP2RY1P2RY12P2RY2P2RY4P2RY6PBP2XPDE3APDE3BPDE4APDE4BPDE4CPDE4DPDK1PDK2PDK3PDK4PPARGPPATPTGIRPTGS1PTGS2RAF1RYR1RYR3SCN10ASCN11ASCN1ASCN2ASCN3ASCN4ASCN5ASCN7ASCN8ASCN9ASERPINC1SLC12A1SLC12A3SYKTHRATHRBTLR3TLR4TLR9TUBA1ATUBA1BTUBA1CTUBA3CTUBA3ETUBA4ATUBBTUBB1TUBB2ATUBB2BTUBB3TUBB4ATUBB4BTUBB6TUBB8TYMSVKORC1XDHblablaIMP-1blaOXA-33blaOXA-58blaT-3blaT-4blaT-5blaT-6dacAdacBdacCfolAfolPfolP1ftsIfusAgaggyrAgyrBmecAmrcAmrcBmrdApbp1apbp1bpbp2pbp2apbp2bpbp3pbp4pbpApbpBpbpCpbpFpolponBrplArplBrplCrplDrplErplFrplJrplKrplLrplMrplNrplOrplPrplQrplRrplSrplTrplUrplVrplWrplXrplYrpmArpmBrpmCrpmDrpmErpmFrpmGrpmHrpmIrpmJrpoArpoBrpoCrpoZrpsArpsBrpsCrpsDrpsErpsFrpsGrpsHrpsIrpsJrpsKrpsLrpsMrpsNrpsOrpsPrpsQrpsRrpsSrpsTrpsUykgMykgO

The experimentally established mechanism targets of None. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CA1 known ✓ P00915 1/20 0.36
▸ CA2 known ✓ P00918 1/20 0.36
▸ ALDH1A1 P00352 5/20 0.44
▸ HSD17B10 Q99714 4/20 0.44
▸ TSHR P16473 3/20 0.44
▸ TP53 P04637 2/20 0.44
▸ MAPK1 P28482 2/20 0.44
▸ HIF1A Q16665 2/20 0.44
▸ CYP3A4 P08684 2/20 0.41
▸ TDP1 Q9NUW8 2/20 0.41
▸ HTT P42858 1/20 0.41
▸ KMT2A Q03164 2/20 0.31
▸ PKM P14618 1/20 0.31
▸ CASP3 P42574 1/20 0.31
▸ SENP7 Q9BQF6 1/20 0.31
▸ SENP6 Q9GZR1 1/20 0.31
▸ MEN1 O00255 1/20 0.30
▸ GMNN O75496 1/20 0.30
▸ LMNA P02545 1/20 0.30
▸ CYP1A2 P05177 1/20 0.30

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL9073535 0.94 ALDH1A1 (0.44) ALDH1A1HSD17B10TSHRTP53MAPK1
SCHEMBL234461 0.80 ALDH1A1 (0.58) ALDH1A1HSD17B10TSHRTP53MAPK1
SCHEMBL27660168 0.74 ALDH1A1 (0.52) ALDH1A1HSD17B10TSHRTP53MAPK1
Hydroquinone SCHEMBL20526059 0.73 CA1 (0.44) CA1CA2
SCHEMBL24385153 0.71 ALDH1A1 (0.50) ALDH1A1HSD17B10TSHRTP53MAPK1
SCHEMBL27251960 0.71 ALDH1A1 (0.50) ALDH1A1HSD17B10TSHRTP53MAPK1
SCHEMBL10887099 0.71 ALDH1A1 (0.50) ALDH1A1HSD17B10TSHRTP53MAPK1
SCHEMBL712641 0.69 — —
SCHEMBL31217749 0.69 ALDH1A1 (0.38) ALDH1A1HSD17B10TSHRTP53MAPK1
SCHEMBL28143286 0.69 CA2 (0.56) ALDH1A1HSD17B10CA1CA2MAPT

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 23 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2295471-B1 Method for making swellable particles ROHM & HAAS (US) 2019-10-23 — — EP disclosed
EP-1764374-B1 Method for making swellable particles ROHM & HAAS (US) 2019-05-01 — — EP disclosed
EP-2295472-B1 Swellable particles ROHM & HAAS (US) 2017-06-28 — — EP disclosed
EP-2295473-B1 Swellable particles ROHM & HAAS (US) 2016-12-28 — — EP disclosed
EP-2295471-A1 Swellable particles Rohm and Haas Company (US) 2011-03-16 — — EP disclosed
EP-2295472-A1 Swellable particles Rohm and Haas Company (US) 2011-03-16 — — EP disclosed
EP-2295473-A1 Swellable particles Rohm and Haas Company (US) 2011-03-16 — — EP disclosed
US-20070066761-A1 Swellable particles ROHM AND HAAS COMPANY 2007-03-22 — — US disclosed
EP-1764374-A1 Swellable particles Rohm and Haas Company (US) 2007-03-21 — — EP disclosed
EP-0821017-B1 Liquid crystal displays containing spacers and methods for producing the spacer ROHM & HAAS (US) 2002-10-09 — — EP disclosed
US-6031051-A Liquid crystal displays containing spacers and methods for producing the spacer ROHM AND HAAS COMPANY (US) 2000-02-29 — — US disclosed
US-5846657-A Liquid crystal displays containing spacers and methods for producing the spacer ROHM AND HAAS COMPANY (US) 1998-12-08 — — US disclosed
EP-0821017-A2 Liquid crystal displays containing spacers and methods for producing the spacer ROHM AND HAAS COMPANY (US) 1998-01-28 — — EP disclosed
EP-0536935-B1 Co-microagglomeration of emulsion polymers ROHM & HAAS (US) 1996-05-29 — — EP disclosed
US-5442012-A Process for making encapsulated micro-agglomerated core/shell additives for PVC blends ROHM AND HAAS COMPANY (US) 1995-08-15 — — US disclosed
US-5276092-A Encapsulated micro-agglomerated core/shell additives in poly(vinyl chloride) blends ROHM AND HAAS COMPANY (US) 1994-01-04 — — US disclosed
US-5221713-A CO-MICROAGGLOMERATION OF EMULSION POLYMERS (ENCAPSULATED CORE/SHELL ADDITIVES FOR PVC) ROHM AND HAAS COMPANY (US) 1993-06-22 — — US disclosed
EP-0536935-A1 Co-microagglomeration of emulsion polymers ROHM AND HAAS COMPANY (US) 1993-04-14 — — EP disclosed
EP-0020065-B1 A METHOD FOR INHIBITING THE POLYMERIZATION OF ACRYLIC MONOMERS IN AQUEOUS LIQUIDS CONTAINING THEM ROHM AND HAAS COMPANY (US) 1983-02-23 — — EP disclosed
EP-0020065-A1 A method for inhibiting the polymerization of acrylic monomers in aqueous liquids containing them ROHM AND HAAS COMPANY (US) 1980-12-10 — — EP disclosed
Send feedback