SCHEMBL8494262

SCHEMBL8494262

CS(=O)(=O)[N+](N)=C(c1ccc(Cl)cc1)c1ccc(CS(=O)(=O)C(F)(F)F)cc1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 2/20 0.36
PPARG P37231 1/20 0.36
PPARA Q07869 1/20 0.36
KMT2A Q03164 4/20 0.35
MEN1 O00255 3/20 0.35
BRAF P15056 1/20 0.33
NPC1 O15118 1/20 0.33
RAB9A P51151 1/20 0.33
CYP3A4 P08684 2/20 0.32
CYP2C19 P33261 2/20 0.32
CYP2D6 P10635 1/20 0.32
CYP2C9 P11712 1/20 0.32
MAPT P10636 2/20 0.32
LMNA P02545 1/20 0.32
POLB P06746 1/20 0.32
GAA P10253 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32
KDM4E B2RXH2 1/20 0.32
ALDH1A1 P00352 1/20 0.32
HPGD P15428 1/20 0.32

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
SCHEMBL8494224 0.83 PPARG (0.35) L3MBTL1PPARGPPARAKMT2AMEN1
SCHEMBL8491760 0.80 MAPT (0.41) L3MBTL1PPARGPPARAKMT2AMEN1
SCHEMBL8494889 0.79 SRD5A2 (0.46) L3MBTL1PPARGPPARABRAFNPC1
SCHEMBL8490640 0.78 PPARG (0.38) L3MBTL1PPARGPPARAKMT2AMEN1
SCHEMBL8493583 0.72 CNR2 (0.39) L3MBTL1PPARGPPARAKMT2AMEN1
SCHEMBL8494975 0.70 CNR2 (0.37) L3MBTL1PPARGPPARAKMT2AMEN1
SCHEMBL8495104 0.69 ALDH1A1 (0.39) PPARGPPARAKMT2AMEN1RAB9A
SCHEMBL8497512 0.69 CNR2 (0.36) L3MBTL1PPARGPPARAKMT2AMEN1
SCHEMBL8493197 0.68 ALDH1A1 (0.37) L3MBTL1KMT2AMEN1NPC1RAB9A
SCHEMBL17689402 0.66 L3MBTL1 (0.46) L3MBTL1KMT2AMEN1CYP3A4POLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0766666-B1 BENZYLSULFIDE DERIVATIVE, PROCESS FOR ITS PRODUCTION AND PESTICIDE KUMIAI CHEMICAL INDUSTRY CO (JP) 1999-03-17 EP disclosed
US-5728699-A Benzylsulfide derivative, process for its production and pesticide KUMIAI CHEMICAL INDUSTRY CO., LTD. (JP) 1998-03-17 US disclosed
EP-0766666-A1 BENZYLSULFIDE DERIVATIVE, PROCESS FOR ITS PRODUCTION AND PESTICIDE KUMIAI CHEMICAL INDUSTRY CO., LTD. (JP) 1997-04-09 EP disclosed
WO-1996033168-A1 BENZYLSULFIDE DERIVATIVE, PROCESS FOR ITS PRODUCTION AND PESTICIDE KUMIAI CHEMICAL INDUSTRY CO., LTD. (JP) 1996-10-24 WO disclosed