SCHEMBL7599243

SCHEMBL7599243

Cc1ccccc1-c1[nH]nnc1C(=O)[O-].[Na+]

nearest known ligand 0.38

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
▸ PPARG known ✓ P37231 1/20 0.33
▸ GAA P10253 1/20 0.38
▸ NOTUM Q6P988 1/20 0.36
▸ RAB9A P51151 5/20 0.35
▸ SMN1; SMN2 Q16637 3/20 0.35
▸ NPC1 O15118 3/20 0.35
▸ CASP3 P42574 1/20 0.35
▸ SENP8 Q96LD8 1/20 0.35
▸ SENP7 Q9BQF6 1/20 0.35
▸ SENP6 Q9GZR1 1/20 0.35
▸ IKBKB O14920 1/20 0.35
▸ SLC9A1 P19634 2/20 0.35
▸ PIK3CD O00329 1/20 0.34
▸ PIK3CA P42336 1/20 0.34
▸ PIK3CB P42338 1/20 0.34
▸ PIK3CG P48736 1/20 0.34
▸ PRKDC P78527 1/20 0.34
▸ ALDH1A1 P00352 6/20 0.33
▸ HPGD P15428 3/20 0.33
▸ MAPT P10636 2/20 0.33

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
SCHEMBL6422752 0.85 CDC25B (0.32) GAASLC9A1ALDH1A1USP2LMNA
SCHEMBL1290355 0.84 HPGD (0.41) GAANOTUMRAB9ASMN1; SMN2NPC1
Phosphine SCHEMBL8166357 0.83 HPGD (0.40) GAANOTUMRAB9ASMN1; SMN2NPC1
SCHEMBL28327759 0.72 GAA (0.46) GAANOTUMRAB9ASMN1; SMN2NPC1
SCHEMBL29818805 0.72 KDM4E (0.41) GAANOTUMRAB9ASMN1; SMN2NPC1
SCHEMBL9173123 0.71 GAA (0.39) GAANOTUMRAB9ASMN1; SMN2NPC1
SCHEMBL27599916 0.70 GAA (0.44) GAANOTUMRAB9ASMN1; SMN2NPC1
SCHEMBL2918163 0.70 PIK3CD (0.49) GAANOTUMRAB9ASMN1; SMN2NPC1
SCHEMBL28805494 0.70 GAA (0.45) GAANOTUMRAB9ASMN1; SMN2NPC1
SCHEMBL30839322 0.70 GAA (0.41) GAANOTUMRAB9ASMN1; SMN2NPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1048986-B1 Compositions for stripping photoresists in the manufacture of integrated circuits ATOFINA (FR) 2002-12-18 — — EP claimed
US-6291410-B1 MIXTURE OF DIMETHYL SULPHOXIDE DMSO) OR N-METHYLPYRROLIDONE (NMP) AND 3-METHOXYPROPYLAMINE (MOPA). ELF ATOCHEM S.A. (FR) 2001-09-18 — — US claimed
US-9212340-B2 Polymer-cleaning composition ARKEMA FRANCE (FR) 2015-12-15 — — US disclosed
US-20130310297-A1 POLYMER-CLEANING COMPOSITION ARKEMA FRANCE (FR) 2013-11-21 — — US disclosed
CN-1130454-C Composition for cleaning photoetching glue in integrated circuit production ALF ATOCHEM S A (FR) 2003-12-10 — — CN disclosed
CN-1130454-C Composition for cleaning photoetching glue in integrated circuit production ALF ATOCHEM S A (FR) 2003-12-10 — — CN disclosed
US-6291410-B1 MIXTURE OF DIMETHYL SULPHOXIDE DMSO) OR N-METHYLPYRROLIDONE (NMP) AND 3-METHOXYPROPYLAMINE (MOPA). ELF ATOCHEM S.A. (FR) 2001-09-18 — — US disclosed
US-6291410-B1 MIXTURE OF DIMETHYL SULPHOXIDE DMSO) OR N-METHYLPYRROLIDONE (NMP) AND 3-METHOXYPROPYLAMINE (MOPA). ELF ATOCHEM S.A. (FR) 2001-09-18 — — US disclosed
CN-1280172-A Composition for cleaning photoetching glue in integrated circuit production ALF ATOCHEM S A (FR) 2001-01-17 — — CN disclosed
CN-1280172-A Composition for cleaning photoetching glue in integrated circuit production ALF ATOCHEM S A (FR) 2001-01-17 — — CN disclosed
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