SCHEMBL7215442

SCHEMBL7215442

CCc1cc(C#N)c(CC)c(CC)n1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 4/20 0.40
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
KDM5A P29375 7/20 0.37
KDM4C Q9H3R0 1/20 0.37
KDM4E B2RXH2 3/20 0.35
ALDH1A1 P00352 2/20 0.35
LMNA P02545 1/20 0.35
HSD17B10 Q99714 1/20 0.35
MAPK1 P28482 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
MAPT P10636 2/20 0.33
TDP1 Q9NUW8 2/20 0.33
PGK1 P00558 1/20 0.33
GLA P06280 1/20 0.33
HTT P42858 1/20 0.33
NOS3 P29474 1/20 0.32
NOS2 P35228 1/20 0.32
HPGD P15428 1/20 0.32
HIF1A Q16665 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
SCHEMBL7215435 0.75 L3MBTL1 (0.39) L3MBTL1MEN1KMT2AKDM5AKDM4C
SCHEMBL16389813 0.72 NOS3 (0.36) MEN1KMT2AALDH1A1LMNANOS3
SCHEMBL7219988 0.71 CTSK (0.42) KDM5AMAPK1
SCHEMBL7219805 0.69 NOS2 (0.42) L3MBTL1KDM4EALDH1A1MAPK1SMN1; SMN2
SCHEMBL16968393 0.68 PGK1 (0.47) L3MBTL1MEN1KMT2AKDM5AKDM4C
SCHEMBL7215701 0.68 HPGD (0.36) L3MBTL1MEN1KMT2AKDM5AKDM4C
SCHEMBL9347463 0.67 PDE3B (0.41) KMT2AKDM5AKDM4EALDH1A1LMNA
SCHEMBL7215604 0.67 CYP2A6 (0.43) MEN1KMT2ANOS3NOS2
SCHEMBL2156767 0.67 L3MBTL1 (0.35) L3MBTL1MEN1KMT2AKDM5AKDM4C
SCHEMBL27455608 0.67 KDM5A (0.38) L3MBTL1MEN1KMT2AKDM5AKDM4E

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