SCHEMBL7215529

SCHEMBL7215529

CCc1cncc(C#N)c1CC

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM5A P29375 8/20 0.39
KDM4E B2RXH2 2/20 0.36
ALDH1A1 P00352 2/20 0.36
LMNA P02545 2/20 0.36
HSD17B10 Q99714 1/20 0.36
KDM4C Q9H3R0 1/20 0.36
CCNC P24863 1/20 0.36
CDK8 P49336 1/20 0.36
CYP2E1 P05181 1/20 0.34
CYP2C8 P10632 1/20 0.34
CYP2D6 P10635 1/20 0.34
CYP2A6 P11509 1/20 0.34
CYP2B6 P20813 1/20 0.34
CYP2C19 P33261 1/20 0.34
MAPK1 P28482 1/20 0.33
PDE3B Q13370 1/20 0.33
PDE3A Q14432 1/20 0.33
S1PR1 P21453 1/20 0.32
MEN1 O00255 1/20 0.32
KMT2A Q03164 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
SCHEMBL21736855 0.87 KDM5A (0.39) KDM5AKDM4EALDH1A1LMNAHSD17B10
SCHEMBL10058048 0.80 MEN1 (0.38) KDM5AKDM4EALDH1A1LMNAHSD17B10
SCHEMBL21736854 0.80 KDM5A (0.39) KDM5AKDM4EALDH1A1LMNAHSD17B10
SCHEMBL19779742 0.78 CYP2E1 (0.37) KDM5AKDM4EALDH1A1HSD17B10CCNC
SCHEMBL21736899 0.78 PGK1 (0.37) KDM5AKDM4EALDH1A1LMNAHSD17B10
SCHEMBL14822356 0.78 CYP11B2 (0.39) KDM5AKDM4CCYP11B1CYP11B2
SCHEMBL7129083 0.78 DHFR (0.36) KDM5ACYP2E1CYP2C8CYP2D6CYP2A6
SCHEMBL7220043 0.77 CYP2E1 (0.37) KDM5ACYP2E1CYP2C8CYP2D6CYP2A6
SCHEMBL24595124 0.76 KDM5A (0.40) KDM5ACCNCCDK8CYP2E1CYP2C8
SCHEMBL21718418 0.76 RIPK1 (0.34) KDM5ACCNCCDK8CYP2E1CYP2C8

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3611165-B1 PYRIDONE COMPOUND, AND AGRICULTURAL AND HORTICULTURAL FUNGICIDE HAVING THIS AS ACTIVE COMPONENT MITSUI CHEMICALS CROP & LIFE SOLUTIONS INC (JP) 2023-08-16 EP disclosed
EP-3611165-A1 PYRIDONE COMPOUND, AND AGRICULTURAL AND HORTICULTURAL FUNGICIDE HAVING THIS AS ACTIVE COMPONENT Mitsui Chemicals Agro, Inc. (JP) 2020-02-19 EP disclosed
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