SCHEMBL6691586

SCHEMBL6691586

N#Cc1ccccc1CSC(=S)c1ccc(-c2ccccc2)cc1

nearest known ligand 0.45

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 6/20 0.45
ALDH1A1 P00352 6/20 0.41
TP53 P04637 1/20 0.39
NPC1 O15118 2/20 0.38
RAB9A P51151 2/20 0.38
HPGD P15428 2/20 0.38
ALOX15 P16050 1/20 0.37
ATM Q13315 1/20 0.37
HSD17B10 Q99714 1/20 0.37
HDAC8 Q9BY41 1/20 0.36
HDAC6 Q9UBN7 1/20 0.36
CTSB P07858 1/20 0.35
TAS2R14 Q9NYV8 1/20 0.35
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
NPSR1 Q6W5P4 1/20 0.34
ESR2 Q92731 1/20 0.34

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
SCHEMBL237654 0.91 SMN1; SMN2 (0.43) SMN1; SMN2ALDH1A1TP53NPC1RAB9A
SCHEMBL6692586 0.86 CNR2 (0.42) SMN1; SMN2ALDH1A1NPC1RAB9AALOX15
SCHEMBL6689871 0.82 NPC1 (0.47) SMN1; SMN2ALDH1A1NPC1RAB9AHDAC8
SCHEMBL28556797 0.79 SMN1; SMN2 (0.38) SMN1; SMN2ALDH1A1NPC1RAB9AALOX15
SCHEMBL6689766 0.75 ALDH1A1 (0.43) SMN1; SMN2ALDH1A1TP53NPC1RAB9A
SCHEMBL6721001 0.75 CA12 (0.52) SMN1; SMN2ALDH1A1HPGDHDAC8HDAC6
SCHEMBL4298117 0.74 CA12 (0.39) SMN1; SMN2ALDH1A1NPC1RAB9AHPGD
SCHEMBL6690636 0.72 ALDH1A1 (0.47) SMN1; SMN2ALDH1A1TP53NPC1RAB9A
SCHEMBL7572807 0.70 MAOB (0.54) NPC1HDAC8HDAC6TAS2R14MEN1
SCHEMBL19468236 0.70 PKM (0.46) SMN1; SMN2ALDH1A1TP53NPC1RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2004108770-A1 LOW ODOR CHAIN TRANSFER AGENTS FOR CONTROLLED RADICAL POLYMERIZATION RENSSELAER POLYTECHNIC INSTITUTE (US) 2004-12-16 WO disclosed