SCHEMBL13345822

SCHEMBL13345822

COc1cccc(/C=C/c2nc3sccn3c2C=O)c1OCC1CC1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACMSD Q8TDX5 2/20 0.36
NPC1 O15118 2/20 0.35
RAB9A P51151 2/20 0.35
LMNA P02545 1/20 0.35
CYP2D6 P10635 1/20 0.35
CYP2C19 P33261 1/20 0.35
L3MBTL1 Q9Y468 2/20 0.34
KDM4E B2RXH2 2/20 0.34
NFE2L2 Q16236 2/20 0.34
TRPM8 Q7Z2W7 2/20 0.34
KMT2A Q03164 2/20 0.34
MEN1 O00255 1/20 0.34
ALDH1A1 P00352 1/20 0.34
POLB P06746 1/20 0.34
MAPT P10636 1/20 0.34
MAPK1 P28482 1/20 0.34
EDNRA P25101 3/20 0.33
PKM P14618 1/20 0.32
PDE4D Q08499 1/20 0.32
PDE4B Q07343 1/20 0.32

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
SCHEMBL2826386 0.87 ACMSD (0.39) ACMSDNPC1RAB9ALMNACYP2D6
SCHEMBL2826388 0.87 ACMSD (0.39) ACMSDNPC1RAB9ALMNACYP2D6
SCHEMBL637611 0.86 ACMSD (0.37) ACMSDNPC1RAB9ALMNACYP2D6
SCHEMBL637610 0.86 ACMSD (0.37) ACMSDNPC1RAB9ALMNACYP2D6
SCHEMBL13345648 0.85 TRPM8 (0.36) NPC1RAB9ALMNACYP2D6CYP2C19
SCHEMBL2825379 0.84 MAPK1 (0.45) ACMSDNPC1RAB9ALMNAL3MBTL1
SCHEMBL2825383 0.84 MAPK1 (0.45) ACMSDNPC1RAB9ALMNAL3MBTL1
SCHEMBL636241 0.84 ACMSD (0.37) ACMSDNPC1RAB9ALMNACYP2D6
SCHEMBL636242 0.84 ACMSD (0.37) ACMSDNPC1RAB9ALMNACYP2D6
SCHEMBL6032767 0.82 HCRTR1 (0.37) ACMSDNPC1RAB9ALMNACYP2D6

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-2010070452-A1 FUSED IMIDAZOLE CARBOXAMIDES AS TRPV3 MODULATORS GLENMARK PHARMACEUTICALS, S.A. (CH) 2010-06-24 WO disclosed