SCHEMBL2888707

SCHEMBL2888707

O=S(=O)([O-])c1nc2ccccc2cc1-c1ccc2cc3ccccc3cc2c1.[Na+]

nearest known ligand 0.43

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 3/20 0.40
▸ CA2 known ✓ P00918 3/20 0.40
▸ CA12 known ✓ O43570 1/20 0.40
▸ PTGS2 known ✓ P35354 3/20 0.38
▸ GSTP1 P09211 1/20 0.40
▸ CA9 Q16790 2/20 0.40
▸ ALDH1A1 P00352 1/20 0.39
▸ GLA P06280 1/20 0.39
▸ MAPT P10636 1/20 0.39
▸ HPGD P15428 1/20 0.39
▸ ACHE P22303 1/20 0.39
▸ NPC1 O15118 2/20 0.39
▸ RAB9A P51151 2/20 0.39
▸ CYP1A2 P05177 1/20 0.36
▸ AHR P35869 1/20 0.36
▸ UTRN P46939 1/20 0.36
▸ HDAC6 Q9UBN7 1/20 0.36
▸ MEN1 O00255 2/20 0.36
▸ KMT2A Q03164 2/20 0.36
▸ HTR3A P46098 1/20 0.35

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
SCHEMBL9618516 0.72 ALDH1A1 (0.49) CA1CA2CA9CA12ALDH1A1
Zinc Ion SCHEMBL8780468 0.72 ALDH1A1 (0.49) CA1CA2CA9CA12ALDH1A1
SCHEMBL9618515 0.72 ALDH1A1 (0.49) CA1CA2CA9CA12ALDH1A1
SCHEMBL2697944 0.72 ALDH1A1 (0.49) CA1CA2CA9CA12ALDH1A1
SCHEMBL8561207 0.68 ALDH1A1 (0.47) ALDH1A1MAPTNPC1RAB9APTGS2
SCHEMBL982768 0.67 PSMB5 (0.51) GSTP1ALDH1A1GLAMAPTHPGD
SCHEMBL686699 0.67 LMNA (0.55) CA1CA2CA9KMT2A
SCHEMBL29829127 0.67 LMNA (0.55) CA1CA2CA9KMT2A
Acridine SCHEMBL4906921 0.67 ALDH1A1 (0.65) CA1CA2CA9CA12ALDH1A1
SCHEMBL2161110 0.65 GSTP1 (0.59) GSTP1CA1CA2CA9NPC1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100103590-A1 SOLID ELECTROLYTIC CAPACITOR AND PRODUCTION METHOD THEREOF SHOWA DENKO K.K. (JP) 2010-04-29 — — US disclosed
WO-2007001076-A1 SOLID ELECTROLYTIC CAPACITOR AND PRODUCTION METHOD THEREOF SHOWA DENKO K.K. (JP) 2007-01-04 — — WO disclosed
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