SCHEMBL8495104

SCHEMBL8495104

CCC(=O)NN=C(c1ccc(Cl)cc1)c1ccc(CS(=O)(=O)C(F)(F)F)cc1

nearest known ligand 0.43

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.39
KDM4E B2RXH2 2/20 0.39
POLB P06746 2/20 0.39
MEN1 O00255 4/20 0.39
KMT2A Q03164 4/20 0.39
MAPT P10636 1/20 0.38
RAB9A P51151 2/20 0.37
SMN1; SMN2 Q16637 2/20 0.37
PPARG P37231 1/20 0.37
PPARA Q07869 1/20 0.37
NPSR1 Q6W5P4 1/20 0.36
GAA P10253 1/20 0.36
CTDSP1 Q9GZU7 1/20 0.36

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
SCHEMBL8899320 0.85 ALDH1A1 (0.42) ALDH1A1KDM4EPOLBMEN1KMT2A
SCHEMBL8495186 0.83 HDAC1 (0.39) ALDH1A1KDM4EPOLBMEN1KMT2A
SCHEMBL11032658 0.81 MEN1 (0.41) ALDH1A1KDM4EPOLBMEN1KMT2A
SCHEMBL11032656 0.81 MEN1 (0.41) ALDH1A1KDM4EPOLBMEN1KMT2A
SCHEMBL8490640 0.79 PPARG (0.38) ALDH1A1KDM4EPOLBMEN1KMT2A
SCHEMBL8494889 0.77 SRD5A2 (0.46) ALDH1A1RAB9ASMN1; SMN2PPARGPPARA
SCHEMBL11172246 0.75 KMT2A (0.46) ALDH1A1KDM4EPOLBMEN1KMT2A
SCHEMBL8645260 0.75 MEN1 (0.41) ALDH1A1KDM4EPOLBMEN1KMT2A
SCHEMBL11098937 0.75 MEN1 (0.44) ALDH1A1KDM4EPOLBMEN1KMT2A
SCHEMBL8494224 0.73 PPARG (0.35) ALDH1A1KDM4EPOLBMEN1KMT2A

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