SCHEMBL9253353

SCHEMBL9253353

COc1ccc2c(c1)sc(=O)n2CCN

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 5/20 0.53
NPC1 O15118 3/20 0.53
RAB9A P51151 3/20 0.53
LMNA P02545 2/20 0.53
GAA P10253 3/20 0.49
MAPK1 P28482 2/20 0.49
POLB P06746 1/20 0.49
ALDH1A1 P00352 6/20 0.49
MAPT P10636 5/20 0.49
TP53 P04637 3/20 0.46
TSHR P16473 3/20 0.44
L3MBTL1 Q9Y468 3/20 0.44
PKM P14618 1/20 0.44
HPGD P15428 3/20 0.43
CYP3A4 P08684 1/20 0.43
CYP2D6 P10635 1/20 0.43
CYP2C19 P33261 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
KDM4E B2RXH2 1/20 0.43
NPSR1 Q6W5P4 1/20 0.42

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
SCHEMBL9268322 0.89 SMN1; SMN2 (0.53) SMN1; SMN2NPC1RAB9ALMNAGAA
SCHEMBL13394783 0.85 SMN1; SMN2 (0.54) SMN1; SMN2NPC1RAB9ALMNAGAA
SCHEMBL6526004 0.79 SMN1; SMN2 (0.47) SMN1; SMN2NPC1RAB9ALMNAGAA
SCHEMBL6340728 0.79 ALDH1A1 (0.66) SMN1; SMN2NPC1RAB9ALMNAGAA
SCHEMBL13394304 0.78 SMN1; SMN2 (0.71) SMN1; SMN2NPC1RAB9ALMNAGAA
SCHEMBL26655054 0.74 SMN1; SMN2 (0.60) SMN1; SMN2NPC1RAB9ALMNAGAA
SCHEMBL18263616 0.74 ALDH1A1 (0.51) SMN1; SMN2NPC1RAB9ALMNAGAA
SCHEMBL4616542 0.73 L3MBTL1 (0.64) SMN1; SMN2NPC1RAB9AMAPK1ALDH1A1
SCHEMBL26654672 0.72 SMN1; SMN2 (0.52) SMN1; SMN2NPC1RAB9ALMNAGAA
SCHEMBL31457701 0.72 SMN1; SMN2 (0.52) SMN1; SMN2NPC1RAB9ALMNAGAA

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
US-5386034-A Treatment of sleeping, psychological and nervous system disorders; anxiolytic agents, ovulation regulators ADIR ET COMPAGNIE (FR) 1995-01-31 US claimed