SCHEMBL9502911

SCHEMBL9502911

CCSc1ccc(C(=O)NCCCSC)cc1NC(=O)CCCCl

nearest known ligand 0.45

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ACAT1 P24752 1/20 0.45
NPC1 O15118 2/20 0.44
RAB9A P51151 2/20 0.44
ALDH1A1 P00352 1/20 0.44
CYP1A2 P05177 1/20 0.44
CYP2D6 P10635 1/20 0.44
CYP2C9 P11712 1/20 0.44
CYP2C19 P33261 1/20 0.44
HTT P42858 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
HDAC3 O15379 14/20 0.43
HDAC1 Q13547 10/20 0.43
KMT2A Q03164 2/20 0.41
MEN1 O00255 1/20 0.41
NAMPT P43490 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
SCHEMBL9503861 0.97 HDAC3 (0.45) ACAT1NPC1RAB9AALDH1A1CYP1A2
SCHEMBL9502406 0.90 ACAT1 (0.52) ACAT1NPC1RAB9AALDH1A1CYP1A2
SCHEMBL9502960 0.90 ACAT1 (0.52) ACAT1NPC1RAB9AALDH1A1CYP1A2
SCHEMBL9503862 0.90 ACAT1 (0.52) ACAT1NPC1RAB9AALDH1A1CYP1A2
SCHEMBL9502197 0.88 ACAT1 (0.51) ACAT1NPC1RAB9AALDH1A1CYP1A2
SCHEMBL9502274 0.88 ACAT1 (0.42) ACAT1NPC1RAB9ASMN1; SMN2HDAC3
SCHEMBL9503964 0.87 ACAT1 (0.43) ACAT1NPC1RAB9ASMN1; SMN2HDAC3
SCHEMBL9502216 0.84 ACAT1 (0.50) ACAT1NPC1RAB9AALDH1A1CYP1A2
SCHEMBL9503039 0.84 ACAT1 (0.50) ACAT1NPC1RAB9AALDH1A1CYP1A2
SCHEMBL9506109 0.84 ACAT1 (0.53) ACAT1NPC1RAB9AALDH1A1CYP1A2

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-0543865-A1 BENZAMIDE DERIVATIVES RHONE-POULENC RORER LIMITED (GB) 1993-06-02 EP disclosed
WO-1992003412-A2 BENZAMIDE DERIVATIVES RHONE-POULENC RORER LIMITED (GB) 1992-03-05 WO disclosed