SCHEMBL9714504

SCHEMBL9714504

Cc1ccccc1Cn1cnc(C(N)=O)c1

nearest known ligand 0.49

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CYP11B1 P15538 2/20 0.47
CYP11B2 P19099 2/20 0.47
ADA P00813 6/20 0.43
KLKB1 P03952 2/20 0.42
KDM5B Q9UGL1 2/20 0.41
KDM4A O75164 1/20 0.41
KDM5A P29375 1/20 0.41
KDM4C Q9H3R0 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
ASAH1 Q13510 1/20 0.40
SIRT2 Q8IXJ6 1/20 0.40
SIRT1 Q96EB6 1/20 0.40
PTGS1 P23219 1/20 0.40
PTGS2 P35354 1/20 0.40
AURKA O14965 1/20 0.39
RPS6KB1 P23443 1/20 0.39

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
SCHEMBL10571866 0.83 MEN1 (0.46) CYP11B1CYP11B2KLKB1KDM5BKDM4A
SCHEMBL9714098 0.83 LMNA (0.50) ADAKDM5BKDM5AKDM4CSMN1; SMN2
SCHEMBL9714348 0.83 KDM5B (0.54) ADAKDM5BKDM4AKDM5AKDM4C
SCHEMBL15964744 0.79 RBP4 (0.54) ADAKLKB1KDM5BKDM4AKDM5A
SCHEMBL6174709 0.78 ADA (0.44) ADAKDM5BKDM4AKDM5AKDM4C
SCHEMBL31333037 0.78 SMN1; SMN2 (0.51) CYP11B1CYP11B2SMN1; SMN2PTGS1PTGS2
SCHEMBL9714289 0.78 CA5A (0.45) ADAKDM5BKDM4AKDM5AKDM4C
SCHEMBL15965385 0.77 KLKB1 (0.49) CYP11B1CYP11B2KLKB1
SCHEMBL28008353 0.75 CYP11B1 (0.46) CYP11B1CYP11B2KLKB1SMN1; SMN2SIRT2
SCHEMBL7836203 0.74 ADA (0.45) ADAKDM5BKDM4AKDM5AKDM4C

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 6 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 claimed
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 claimed
EP-0248414-A2 Aralkyl imidazole derivatives CIBA-GEIGY AG (CH) 1987-12-09 EP claimed
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