SCHEMBL237654

SCHEMBL237654

N#Cc1ccccc1CSC(=S)c1ccccc1

nearest known ligand 0.44

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 6/20 0.43
ALDH1A1 P00352 6/20 0.41
ALOX15 P16050 1/20 0.40
ATM Q13315 1/20 0.40
HSD17B10 Q99714 1/20 0.40
CNR2 P34972 1/20 0.38
CTSB P07858 1/20 0.38
NPC1 O15118 2/20 0.37
RAB9A P51151 2/20 0.37
NPSR1 Q6W5P4 1/20 0.37
TP53 P04637 1/20 0.36
HSD11B1 P28845 1/20 0.36
CYP19A1 P11511 1/20 0.36
FFAR1 O14842 1/20 0.35
HPGD P15428 1/20 0.35
TAS2R14 Q9NYV8 1/20 0.35
MAPT P10636 1/20 0.35

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
SCHEMBL6691586 0.91 SMN1; SMN2 (0.45) SMN1; SMN2ALDH1A1ALOX15ATMHSD17B10
SCHEMBL6692586 0.88 CNR2 (0.42) SMN1; SMN2ALDH1A1ALOX15ATMHSD17B10
SCHEMBL6689871 0.84 NPC1 (0.47) SMN1; SMN2ALDH1A1NPC1RAB9ATAS2R14
SCHEMBL28556797 0.84 SMN1; SMN2 (0.38) SMN1; SMN2ALDH1A1ALOX15ATMHSD17B10
SCHEMBL4298117 0.82 CA12 (0.39) SMN1; SMN2ALDH1A1ALOX15NPC1RAB9A
SCHEMBL6689766 0.80 ALDH1A1 (0.43) SMN1; SMN2ALDH1A1ALOX15ATMHSD17B10
SCHEMBL173453 0.77 CA12 (0.38) SMN1; SMN2ALDH1A1ALOX15ATMNPC1
SCHEMBL6690636 0.76 ALDH1A1 (0.47) SMN1; SMN2ALDH1A1ALOX15ATMHSD17B10
SCHEMBL19468236 0.74 PKM (0.46) SMN1; SMN2ALDH1A1ALOX15ATMHSD17B10
SCHEMBL164079 0.73 CA12 (0.41) SMN1; SMN2ALDH1A1ALOX15NPC1RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9745406-B2 Curable composition CEMEDINE CO., LTD. (JP) 2017-08-29 US disclosed
US-20120004371-A1 CURABLE COMPOSITION CEMEDINE CO., LTD. (JP) 2012-01-05 US disclosed
WO-2004108770-A1 LOW ODOR CHAIN TRANSFER AGENTS FOR CONTROLLED RADICAL POLYMERIZATION RENSSELAER POLYTECHNIC INSTITUTE (US) 2004-12-16 WO disclosed