SCHEMBL15097612

SCHEMBL15097612

COSc1ccc(C(C)C)c(C#N)c1

nearest known ligand 0.43

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
AR P10275 12/20 0.43
MAOB P27338 6/20 0.41
MAOA P21397 5/20 0.41
MCL1 Q07820 1/20 0.38
KDM4E B2RXH2 1/20 0.33
CYP1A2 P05177 1/20 0.33
GLA P06280 1/20 0.33
CYP3A4 P08684 1/20 0.33
GAA P10253 1/20 0.33
MAPT P10636 1/20 0.33
CYP2C9 P11712 1/20 0.33
CYP2C19 P33261 1/20 0.33

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
SCHEMBL20388928 0.81 MAOB (0.44) ARMAOBMAOAMCL1MAPT
SCHEMBL15097608 0.77 AR (0.39) ARMAOBMAOAMCL1KDM4E
SCHEMBL15097610 0.74 PDE2A (0.33)
SCHEMBL15097617 0.74 GABRA1 (0.31) CYP1A2CYP3A4CYP2C9CYP2C19
SCHEMBL19105516 0.74 L3MBTL1 (0.46) ARMAOBKDM4ECYP1A2GLA
SCHEMBL15097491 0.73 MAOB (0.40) ARMAOBMAOAKDM4ECYP1A2
SCHEMBL12039676 0.71 TRPA1 (0.50) ARCYP1A2
SCHEMBL11793526 0.71 MCL1 (0.40) ARMAOBMAOAMCL1KDM4E
SCHEMBL19425844 0.71 PTGDR2 (0.42) ARMAOBMAOAGLA
SCHEMBL15097480 0.70 TYR (0.34) KDM4E

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-20130177851-A1 PHOTORESIST COMPOSITION SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2013-07-11 US disclosed