SCHEMBL2953732

SCHEMBL2953732

CCC(Cl)(NCc1ccccc1)C(=O)[O-].[Na+]

nearest known ligand 0.46

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 16)

geneUniProtsupporting neighboursconfidence
RIPK1 Q13546 1/20 0.46
ALDH1A1 P00352 3/20 0.41
MAPT P10636 1/20 0.41
EPHX2 P34913 1/20 0.41
CYP3A4 P08684 1/20 0.41
CYP2C19 P33261 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
GAA P10253 1/20 0.40
PPID Q08752 1/20 0.39
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
KDM4E B2RXH2 1/20 0.38
SMN1; SMN2 Q16637 3/20 0.38
LMNA P02545 1/20 0.38
RAB9A P51151 1/20 0.38
HPGD P15428 1/20 0.37

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
SCHEMBL6325947 0.85 RIPK1 (0.50) RIPK1ALDH1A1MAPTEPHX2CYP3A4
SCHEMBL11526495 0.73 RIPK1 (0.46) RIPK1ALDH1A1MAPTCYP3A4CYP2C19
SCHEMBL28825841 0.71 THRB (0.45) RIPK1ALDH1A1CYP2C19GAAMEN1
SCHEMBL1508717 0.70 RIPK1 (0.56) RIPK1ALDH1A1MAPTCYP2C19PPID
SCHEMBL2540383 0.70 RIPK1 (0.56) RIPK1ALDH1A1MAPTCYP2C19PPID
SCHEMBL1508831 0.70 RIPK1 (0.56) RIPK1ALDH1A1MAPTCYP2C19PPID
SCHEMBL20424191 0.70 RIPK1 (0.51) RIPK1ALDH1A1MAPTEPHX2CYP3A4
SCHEMBL28514172 0.70 POLB (0.47) ALDH1A1MAPTCYP3A4CYP2C19SMN1; SMN2
SCHEMBL14145021 0.69 CYP3A4 (0.50) RIPK1MAPTCYP3A4CYP2C19MEN1
SCHEMBL10990271 0.69 RIPK1 (0.68) RIPK1ALDH1A1MAPTEPHX2CYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8183336-B2 Poly (arylene sulfide) KUREHA CORPORATION (JP) 2012-05-22 US disclosed
US-20100234559-A1 POLY (ARYLENE SULFIDE) KUREHA CORPORATION (JP) 2010-09-16 US disclosed
US-7767783-B2 A poly(arylene sulfide) obtained by polymerization of a sulfur source and a dihalo-aromatic compound in the presence of an alkali metal hydroxide in an organic amide solvent, the polymerization medium having a pH of 7-12.5 from the beginning to the end of the reaction; less than 800 ppm nitrogen content KUREHA CORPORATION (JP) 2010-08-03 US disclosed
US-7754848-B2 Poly (arylene sulfide) and production process thereof KUREHA CORPORATION (JP) 2010-07-13 US disclosed
EP-1586601-B1 PROCESS FOR PRODUCING POLYARYLENE SULFIDE KUREHA CORP (JP) 2009-08-26 EP disclosed
EP-1702943-B1 POLYARYLENE SULFIDE AND PROCESS FOR PRODUCING THE SAME KUREHA CORP (JP) 2009-08-26 EP disclosed
US-20090156780-A1 Poly (Arylene Sulfide) and Production Process Thereof KAWAMA HIROHITO 2009-06-18 US disclosed
US-7504476-B2 Poly(arylene sulfide) and production process thereof KUREHA CORPORATION (JP) 2009-03-17 US disclosed
US-20070161777-A1 Poly (arylene sulfide) and production process thereof KUREHA CORPORATION (JP) 2007-07-12 US disclosed
EP-1702943-A1 POLYARYLENE SULFIDE AND PROCESS FOR PRODUCING THE SAME Kureha Corporation (JP) 2006-09-20 EP disclosed
US-20060074219-A1 Polyarylene sulfide and process for producing the same KUREHA CORPORATION (JP) 2006-04-06 US disclosed
EP-1586601-A1 POLYARYLENE SULFIDE AND PROCESS FOR PRODUCING THE SAME Kureha Chemical Industry Company, Limited (JP) 2005-10-19 EP disclosed