SCHEMBL21811571

SCHEMBL21811571

CN(C)c1cnc(C#N)c(Cl)c1.N#Cc1ncc(Cl)cc1Cl

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.37
ALDH1A1 P00352 2/20 0.37
POLB P06746 2/20 0.37
AURKA O14965 1/20 0.35
KIF11 P52732 1/20 0.35
MAPT P10636 2/20 0.34
MAPK1 P28482 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
HSD17B10 Q99714 1/20 0.32
CHEK1 O14757 6/20 0.32
CHEK2 O96017 2/20 0.32
HPGD P15428 1/20 0.32
LMNA P02545 1/20 0.31
CYP2C9 P11712 1/20 0.31
TSHR P16473 1/20 0.31
APEX1 P27695 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
CYP1A2 P05177 1/20 0.31
CYP2D6 P10635 1/20 0.31
CDK1 P06493 1/20 0.30

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
SCHEMBL186605 0.84 KDM4E (0.47) KDM4EALDH1A1POLBMAPTMAPK1
SCHEMBL21914981 0.76 ALDH1A1 (0.41) KDM4EALDH1A1POLB
SCHEMBL12248181 0.70 ALDH1A1 (0.44) KDM4EALDH1A1POLBMAPTMAPK1
SCHEMBL4586295 0.70 KDM4E (0.40) KDM4EALDH1A1POLBMAPTMAPK1
SCHEMBL15417360 0.69 GABRA1 (0.39) KDM4EALDH1A1POLBMAPTMAPK1
SCHEMBL15860425 0.69 ALDH1A1 (0.41) KDM4EALDH1A1AURKAKIF11MAPT
SCHEMBL22713562 0.69 KDM4E (0.38) KDM4EALDH1A1POLBCHEK1CHEK2
SCHEMBL1302852 0.69 KDM4E (0.35) KDM4EALDH1A1POLB
SCHEMBL11167087 0.67 ALDH1A1 (0.46) KDM4EALDH1A1POLBMAPTMAPK1
SCHEMBL12099239 0.67 ALDH1A1 (0.41) KDM4EALDH1A1POLBL3MBTL1HPGD

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
WO-2020054712-A1 PEST CONTROL AGENT 日本化薬株式会社 2020-03-19 WO disclosed