SCHEMBL636557

SCHEMBL636557

COc1cccc(/C=C/c2nc3sccn3c(=O)c2-c2ccc(C#N)cc2)c1OCC1CC1

nearest known ligand 0.38

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ACMSD Q8TDX5 2/20 0.38
PKM P14618 1/20 0.33
KDM1A O60341 5/20 0.33
MDM2 Q00987 1/20 0.32
LMNA P02545 1/20 0.32
CYP2D6 P10635 1/20 0.32
CYP2C19 P33261 1/20 0.32
PDE4A P27815 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
TP53 P04637 1/20 0.31
MAPT P10636 1/20 0.31
NR1I3 Q14994 1/20 0.31
EDNRA P25101 1/20 0.31

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
SCHEMBL636558 1.00 ACMSD (0.38) ACMSDPKMKDM1AMDM2LMNA
SCHEMBL16966551 0.97 ACMSD (0.37) ACMSDPKMKDM1AMDM2LMNA
SCHEMBL16966558 0.96 ACMSD (0.37) ACMSDPKMKDM1AMAPTEDNRA
SCHEMBL6032767 0.93 HCRTR1 (0.37) ACMSDPKMLMNACYP2D6CYP2C19
SCHEMBL637328 0.93 HCRTR1 (0.37) ACMSDPKMLMNACYP2D6CYP2C19
SCHEMBL4399942 0.92 PDE10A (0.35) ACMSDPKMLMNACYP2D6CYP2C19
SCHEMBL636539 0.92 PDE10A (0.35) ACMSDPKMLMNACYP2D6CYP2C19
SCHEMBL636242 0.91 ACMSD (0.37) ACMSDPKMLMNACYP2D6CYP2C19
SCHEMBL636241 0.91 ACMSD (0.37) ACMSDPKMLMNACYP2D6CYP2C19
SCHEMBL4402304 0.91 HIF1A (0.35) ACMSDPKMLMNACYP2D6CYP2C19

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-8119647-B2 Fused pyrimidineone compounds as TRPV3 modulators GLENMARK PHARMACEUTICALS S.A. (CH) 2012-02-21 US disclosed