SCHEMBL1015947

SCHEMBL1015947

O=C(COCC(=O)Nc1ccc(Cl)cc1C(=O)[O-])Nc1cccc(-c2ccc(F)cc2)c1.[Na+]

nearest known ligand 0.51

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 12)

geneUniProtsupporting neighboursconfidence
PPARG known ✓ P37231 2/20 0.44
CNR1 P21554 2/20 0.51
SERPINE1 P05121 4/20 0.45
MGLL Q99685 2/20 0.45
PPARA Q07869 1/20 0.43
MAPT P10636 4/20 0.42
POLB P06746 1/20 0.42
G6PD P11413 1/20 0.42
GRIK1 P39086 1/20 0.41
GAA P10253 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
LMNA P02545 1/20 0.41

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
SCHEMBL1015137 0.91 KLK7 (0.46) CNR1MAPTGRIK1GAASMN1; SMN2
SCHEMBL1015100 0.90 SERPINE1 (0.55) CNR1SERPINE1MGLLMAPTPOLB
SCHEMBL1015946 0.89 SERPINE1 (0.54) CNR1SERPINE1MGLLMAPTPOLB
SCHEMBL1015837 0.88 CNR1 (0.51) CNR1SERPINE1MGLLMAPTPOLB
SCHEMBL1015741 0.88 CNR1 (0.51) CNR1SERPINE1MGLLPPARGPPARA
SCHEMBL1016299 0.88 CNR1 (0.51) CNR1SERPINE1PPARGPPARAMAPT
SCHEMBL1015831 0.85 CNR1 (0.53) CNR1SERPINE1MAPTLMNA
SCHEMBL29448187 0.85 SERPINE1 (0.64) CNR1SERPINE1PPARGPPARAMAPT
SCHEMBL1015926 0.82 CNR1 (0.53) CNR1SERPINE1PPARGMAPTPOLB
SCHEMBL1015269 0.80 GRIK1 (0.52) SERPINE1MAPTPOLBG6PDGRIK1

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
EP-2990057-B1 PAI-1 INHIBITOR FOR USE IN ENHANCING THE ANTITUMOR EFFECT OF AN ANTITUMOR AGENT IN A PATIENT RENASCIENCE CO LTD (JP) 2019-03-20 EP disclosed
EP-2272822-A1 INHIBITOR OF PLASMINOGEN ACTIVATOR INHIBITOR-1 Renascience CO., LTD. (JP) 2011-01-12 EP disclosed