SCHEMBL3907767

SCHEMBL3907767

COC(=O)C(=Cc1ccc(C#N)cc1OCCNC(=O)C1CCN(c2ccncc2)CC1)NC(C)=O

nearest known ligand 0.47

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
F10 P00742 10/20 0.47
NAMPT P43490 1/20 0.39
KDM4E B2RXH2 1/20 0.38
ALDH1A1 P00352 1/20 0.38
HPGD P15428 1/20 0.38
CHRM4 P08173 3/20 0.38
CHRM2 P08172 1/20 0.38
CHRM1 P11229 1/20 0.38
ITGB3 P05106 1/20 0.37
ITGA2B P08514 1/20 0.37
F2 P00734 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
SCHEMBL3907764 1.00 F10 (0.47) F10NAMPTKDM4EALDH1A1HPGD
Trifluoroacetic Acid SCHEMBL3895690 0.96 F10 (0.45) F10NAMPTCHRM4CHRM2CHRM1
SCHEMBL6873642 0.91 CHRM4 (0.38) F10KDM4EALDH1A1HPGDCHRM4
SCHEMBL6873645 0.91 CHRM4 (0.38) F10KDM4EALDH1A1HPGDCHRM4
SCHEMBL6872177 0.82 F10 (0.48) F10NAMPTKDM4EALDH1A1HPGD
SCHEMBL6872175 0.82 F10 (0.48) F10NAMPTKDM4EALDH1A1HPGD
SCHEMBL3903206 0.81 CDK1 (0.39) F10ALDH1A1
SCHEMBL3903208 0.81 CDK1 (0.39) F10ALDH1A1
SCHEMBL3905429 0.75 CA12 (0.39) KDM4E
SCHEMBL3905431 0.75 CA12 (0.39) KDM4E

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
EP-0976722-B1 BENZAMIDINE DERIVATIVES AJINOMOTO KK (JP) 2009-03-11 EP disclosed