SCHEMBL7213409

SCHEMBL7213409

CCc1cc(CC)c(C#N)cn1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 1/20 0.39
AR P10275 4/20 0.39
PDE9A O76083 2/20 0.35
KDM5A P29375 1/20 0.35
MEN1 O00255 2/20 0.34
KMT2A Q03164 2/20 0.34
L3MBTL1 Q9Y468 2/20 0.34
FGFR4 P22455 1/20 0.33
CNR2 P34972 1/20 0.33
NOS3 P29474 1/20 0.32
NOS1 P29475 1/20 0.32
NOS2 P35228 1/20 0.32
PDE10A Q9Y233 1/20 0.32
MBOAT4 Q96T53 1/20 0.32
GLA P06280 1/20 0.32
CCNC P24863 1/20 0.32
CDK8 P49336 1/20 0.32
KDM4E B2RXH2 1/20 0.32
GAA P10253 1/20 0.32
TSHR P16473 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
SCHEMBL7220089 0.85 NOS3 (0.36) MAPK1ARPDE9AKDM5AMEN1
SCHEMBL2514335 0.84 ALDH1A1 (0.38) MAPK1ARPDE9APDE10AMBOAT4
SCHEMBL14872340 0.81 AR (0.39) MAPK1ARPDE9AKDM5AMEN1
SCHEMBL8081930 0.79 MAPK1 (0.38) MAPK1ARMEN1KMT2AL3MBTL1
SCHEMBL2202379 0.79 MAPK1 (0.38) MAPK1ARKDM5AMEN1KMT2A
SCHEMBL23586637 0.79 MAPK1 (0.38) MAPK1ARMEN1KMT2AL3MBTL1
SCHEMBL26510896 0.79 CYP11B1 (0.41) MAPK1AR
SCHEMBL15434726 0.79 NOS3 (0.52) MAPK1ARMEN1KMT2AL3MBTL1
SCHEMBL7219799 0.78 AR (0.40) MAPK1ARMEN1KMT2AL3MBTL1
SCHEMBL25786963 0.77 MBOAT4 (0.37) MAPK1ARPDE9AKDM5AMEN1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6603007-B1 Intermediates in the fields of pharmaceuticals, agrichemicals, ligands, silver halide photosensitive materials, liquid crystals, surfactants, electrophotography and organic electroluminescence SANKIO CHEMICAL CO., LTD. (JP) 2003-08-05 US disclosed
EP-1231207-A1 NOVEL BIPYRIDYL DERIVATIVES Sankio Chemical Co., Ltd. (JP) 2002-08-14 EP disclosed