SCHEMBL6692586

SCHEMBL6692586

N#Cc1ccccc1CSC(=S)c1ccc(F)cc1

nearest known ligand 0.42

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 1/20 0.42
LMNA P02545 2/20 0.42
ALDH1A1 P00352 4/20 0.38
SMN1; SMN2 Q16637 3/20 0.36
HSD11B1 P28845 1/20 0.36
MAOA P21397 1/20 0.35
MAOB P27338 1/20 0.35
CRHBP P24387 1/20 0.35
CRHR2 Q13324 1/20 0.35
TACR1 P25103 2/20 0.35
MAPT P10636 1/20 0.35
NPC1 O15118 1/20 0.34
RAB9A P51151 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
ALOX15 P16050 1/20 0.34
ATM Q13315 1/20 0.34
HSD17B10 Q99714 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
L3MBTL1 Q9Y468 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 0.88 SMN1; SMN2 (0.43) CNR2ALDH1A1SMN1; SMN2HSD11B1MAPT
SCHEMBL6691586 0.86 SMN1; SMN2 (0.45) ALDH1A1SMN1; SMN2NPC1RAB9ANPSR1
SCHEMBL6689871 0.82 NPC1 (0.47) ALDH1A1SMN1; SMN2MAOBMAPTNPC1
SCHEMBL6689766 0.75 ALDH1A1 (0.43) LMNAALDH1A1SMN1; SMN2HSD11B1MAPT
SCHEMBL28556797 0.74 SMN1; SMN2 (0.38) CNR2ALDH1A1SMN1; SMN2MAOAMAOB
SCHEMBL7573418 0.73 CA12 (0.50) ALDH1A1NPC1RAB9A
SCHEMBL16128963 0.72 ALDH1A1 (0.36) LMNAALDH1A1SMN1; SMN2MAPTNPC1
SCHEMBL6690636 0.72 ALDH1A1 (0.47) ALDH1A1SMN1; SMN2HSD11B1NPC1RAB9A
SCHEMBL4298117 0.70 CA12 (0.39) LMNAALDH1A1SMN1; SMN2MAPTNPC1
SCHEMBL19468236 0.70 PKM (0.46) LMNAALDH1A1SMN1; SMN2NPC1RAB9A

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