SCHEMBL8495207

SCHEMBL8495207

CSCc1ccc(C(=NN)c2ccc(Cl)cc2)cc1

nearest known ligand 0.43

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 4/20 0.43
MEN1 O00255 3/20 0.40
KMT2A Q03164 3/20 0.40
NPC1 O15118 3/20 0.40
RAB9A P51151 3/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
KDM4E B2RXH2 1/20 0.40
LMNA P02545 3/20 0.38
MAPT P10636 2/20 0.38
HPGD P15428 1/20 0.38
CYP2D6 P10635 2/20 0.38
GRIN2B Q13224 2/20 0.38
CYP1A2 P05177 1/20 0.38
CYP2C19 P33261 1/20 0.38
HSP90AA1 P07900 1/20 0.38
ALDH1A1 P00352 1/20 0.38
TAAR1 Q96RJ0 1/20 0.37
BCHE P06276 1/20 0.36
ACHE P22303 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
SCHEMBL6181273 0.80 ESR1 (0.48) NPC1RAB9ASMN1; SMN2KDM4ELMNA
SCHEMBL1145694 0.80 IDO1 (0.50) IDO1MEN1KMT2ANPC1RAB9A
SCHEMBL8007503 0.77 SRD5A2 (0.52) MEN1KMT2ANPC1RAB9ASMN1; SMN2
SCHEMBL8495528 0.75 MEN1 (0.43) MEN1KMT2ANPC1RAB9AKDM4E
SCHEMBL7447844 0.74 MAOB (0.47) IDO1MEN1KMT2ANPC1RAB9A
SCHEMBL8007278 0.71 SMN1; SMN2 (0.48) MEN1KMT2ANPC1RAB9ASMN1; SMN2
SCHEMBL14359273 0.71 SMN1; SMN2 (0.48) MEN1KMT2ANPC1RAB9ASMN1; SMN2
SCHEMBL17338837 0.70 HPGD (0.59) MEN1KMT2ANPC1RAB9ASMN1; SMN2
SCHEMBL8494304 0.69 NPC1 (0.43) IDO1MEN1KMT2ANPC1RAB9A
SCHEMBL8490640 0.69 PPARG (0.38) MEN1KMT2ASMN1; SMN2KDM4ELMNA

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