SCHEMBL9714533

SCHEMBL9714533

NC(=O)c1cn(Cc2ccc(F)c(F)c2)cn1

nearest known ligand 0.49

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
GRM2 Q14416 7/20 0.48
ALDH1A1 P00352 1/20 0.41
HTT P42858 1/20 0.41
KDM4C Q9H3R0 2/20 0.41
VNN1 O95497 1/20 0.41
KDM4A O75164 1/20 0.41
KDM5A P29375 1/20 0.41
KDM5B Q9UGL1 1/20 0.41
GRM3 Q14832 1/20 0.41
AURKA O14965 1/20 0.40
RPS6KB1 P23443 1/20 0.40
FYN P06241 1/20 0.38
CACNA1G O43497 1/20 0.38
CACNA1H O95180 1/20 0.38
CACNA1I Q9P0X4 1/20 0.38

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
SCHEMBL30587480 0.87 KDM4C (0.47) GRM2KDM4CVNN1KDM4AKDM5A
SCHEMBL18365944 0.87 KDM4C (0.47) GRM2KDM4CVNN1KDM4AKDM5A
SCHEMBL19659010 0.86 MAOA (0.44) GRM2ALDH1A1KDM4CKDM4AKDM5A
SCHEMBL10570402 0.83 GRM2 (0.56) GRM2VNN1KDM5AKDM5BCACNA1G
SCHEMBL30587512 0.83 GRM2 (0.56) GRM2VNN1KDM5AKDM5BCACNA1G
SCHEMBL15965384 0.82 KDM4C (0.57) GRM2ALDH1A1KDM4CAURKARPS6KB1
SCHEMBL30587618 0.81 ALDH1A1 (0.47) GRM2ALDH1A1HTT
SCHEMBL9714457 0.80 GRM2 (0.43) GRM2KDM4CKDM4AKDM5AKDM5B
SCHEMBL15965385 0.78 KLKB1 (0.49) GRM2
SCHEMBL15964744 0.78 RBP4 (0.54) KDM4CKDM4AKDM5AKDM5B

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