SCHEMBL9714527

SCHEMBL9714527

NC(=O)c1cn(Cc2ccc(F)cc2F)cn1

nearest known ligand 0.43

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
GRM2 Q14416 3/20 0.43
KDM4E B2RXH2 2/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
KDM5B Q9UGL1 3/20 0.42
KDM4A O75164 2/20 0.41
KDM5A P29375 2/20 0.41
KDM4C Q9H3R0 2/20 0.41
AURKA O14965 1/20 0.41
RPS6KB1 P23443 1/20 0.41
AURKB Q96GD4 1/20 0.41
HDAC1 Q13547 2/20 0.38
JAK3 P52333 1/20 0.38
MAPK8 P45983 1/20 0.38
GRM4 Q14833 1/20 0.38
MET P08581 1/20 0.38
PTGER1 P34995 1/20 0.38
ALDH1A1 P00352 2/20 0.37
TDP1 Q9NUW8 1/20 0.37
HDAC7 Q8WUI4 1/20 0.37

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
SCHEMBL9714457 0.89 GRM2 (0.43) GRM2KDM5BKDM4AKDM5AKDM4C
SCHEMBL9714348 0.83 KDM5B (0.54) KDM5BKDM4AKDM5AKDM4CAURKA
SCHEMBL10570251 0.81 ALDH1A1 (0.48) GRM2KDM4ESMN1; SMN2KDM5BPTGER1
SCHEMBL31333083 0.80 PPARG (0.40) GRM2KDM4ESMN1; SMN2KDM4CAURKA
SCHEMBL31478624 0.79 KDM5B (0.46) KDM4ESMN1; SMN2KDM5BKDM4AKDM5A
SCHEMBL15965384 0.78 KDM4C (0.57) GRM2SMN1; SMN2KDM4CAURKARPS6KB1
SCHEMBL9714289 0.78 CA5A (0.45) GRM2KDM5BKDM4AKDM5AKDM4C
SCHEMBL9714533 0.77 GRM2 (0.48) GRM2KDM5BKDM4AKDM5AKDM4C
SCHEMBL9714146 0.76 CA5A (0.58) GRM2KDM5BKDM4AKDM5AKDM4C
SCHEMBL9857419 0.76 CA5A (0.61) GRM2KDM4ESMN1; SMN2AURKARPS6KB1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0248414-B1 ARALKYL IMIDAZOLE DERIVATIVES CIBA-GEIGY AG (CH) 1992-09-23 EP disclosed
US-4851424-A 1-Phenyl-lower alkyl-imidazole 4- or 5-carboxamide compounds which are useful in the treatment of epilepsy CIBA-GEIGY CORPORATION (US) 1989-07-25 US disclosed
EP-0248414-A2 Aralkyl imidazole derivatives CIBA-GEIGY AG (CH) 1987-12-09 EP disclosed