SCHEMBL11215154

SCHEMBL11215154

Cc1cc(C(=O)Nc2ccc3cc(S(=O)(=O)[O-])cc(O)c3c2)ccc1[N+](=O)[O-].[Na+]

nearest known ligand 0.53

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
▸ FGF1 known ✓ P05230 1/20 0.42
▸ MAPT P10636 8/20 0.53
▸ MEN1 O00255 6/20 0.53
▸ KMT2A Q03164 6/20 0.53
▸ RAB9A P51151 4/20 0.53
▸ GAA P10253 1/20 0.53
▸ NPC1 O15118 3/20 0.52
▸ SMN1; SMN2 Q16637 2/20 0.50
▸ POLB P06746 1/20 0.49
▸ SIRT1 Q96EB6 1/20 0.49
▸ PRMT1 Q99873 1/20 0.49
▸ TDP1 Q9NUW8 2/20 0.48
▸ ALDH1A1 P00352 2/20 0.48
▸ CASP3 P42574 1/20 0.48
▸ SENP7 Q9BQF6 1/20 0.48
▸ L3MBTL1 Q9Y468 1/20 0.48
▸ TP53 P04637 1/20 0.48
▸ ALPL P05186 1/20 0.44
▸ LMNA P02545 5/20 0.43
▸ MAPK1 P28482 1/20 0.43

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
SCHEMBL11208448 0.92 MEN1 (0.52) MAPTMEN1KMT2ARAB9AGAA
SCHEMBL11431540 0.91 MEN1 (0.55) MAPTMEN1KMT2ARAB9AGAA
SCHEMBL11439173 0.86 MEN1 (0.53) MAPTMEN1KMT2ARAB9AGAA
SCHEMBL11212331 0.85 SIRT1 (0.54) MAPTMEN1KMT2ARAB9ANPC1
SCHEMBL11438439 0.84 CASP6 (0.62) MAPTMEN1KMT2ARAB9AGAA
SCHEMBL11428748 0.83 NT5E (0.55) MAPTMEN1KMT2ARAB9AGAA
SCHEMBL11438446 0.81 CASP6 (0.54) MAPTMEN1KMT2ARAB9AGAA
SCHEMBL11432085 0.80 MEN1 (0.55) MAPTMEN1KMT2ARAB9AGAA
SCHEMBL11438362 0.80 MAPT (0.55) MAPTMEN1KMT2ARAB9AGAA
SCHEMBL11425747 0.80 MAPT (0.55) MAPTMEN1KMT2ARAB9AGAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0013784-B1 C-SUBSTITUTED NAPHTHALENEMONOSULFONIC UREIDES, PROCESS FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM AMERICAN CYANAMID COMPANY (US) 1983-02-23 — — EP disclosed
US-4297372-A ANTIARTHRITIC AGENTS; COLLAGENASE AND PROTEOLYTIC ENZYME INHIBITORS; BONE, SKIN, AND ORAL DISORDERS AMERICAN CYANAMID COMPANY (US) 1981-10-27 — — US disclosed
EP-0013784-A1 C-Substituted naphthalenemonosulfonic ureides, process for their preparation and pharmaceutical compositions containing them AMERICAN CYANAMID COMPANY (US) 1980-08-06 — — EP disclosed
US-4216165-A Amine precursors to ureide inhibitors of connective tissue destruction AMERICAN CYANAMID COMPANY (US) 1980-08-05 — — US disclosed
US-4216164-A Ureide inhibitors of connective tissue destruction AMERICAN CYANAMID COMPANY (US) 1980-08-05 — — US disclosed
US-4216166-A Nitro precursors to amine precursors to ureide inhibitors of connective tissue destruction AMERICAN CYANAMID COMPANY (US) 1980-08-05 — — US disclosed
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