SCHEMBL3903019

SCHEMBL3903019

CNC(=O)CC(=Cc1ccc(C#N)cc1OCCNC(=O)c1ccc(C(=O)N2CCCC2)cc1)C(=O)O

nearest known ligand 0.46

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
F10 P00742 2/20 0.46
F2 P00734 1/20 0.46
CDK1 P06493 4/20 0.41
CXCR3 P49682 1/20 0.40
ADORA2A P29274 3/20 0.37
KCNA5 P22460 1/20 0.37
EGLN1 Q9GZT9 2/20 0.36
MEN1 O00255 1/20 0.36
ALDH1A1 P00352 1/20 0.36
HPGD P15428 1/20 0.36
KMT2A Q03164 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
NAMPT P43490 2/20 0.36
KDM1A O60341 1/20 0.36
FASN P49327 1/20 0.36
DPP4 P27487 1/20 0.35
DRD3 P35462 1/20 0.35

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
SCHEMBL3903021 0.84 F10 (0.48) F10F2CDK1CXCR3ADORA2A
SCHEMBL3900223 0.81 F10 (0.44) F10F2CDK1CXCR3ADORA2A
SCHEMBL3900221 0.81 F10 (0.44) F10F2CDK1CXCR3ADORA2A
SCHEMBL3902456 0.77 SCN9A (0.34) CDK1MEN1ALDH1A1KMT2ASMN1; SMN2
SCHEMBL3903134 0.73 F10 (0.71) F10F2CXCR3MEN1ALDH1A1
SCHEMBL3903206 0.71 CDK1 (0.39) F10CDK1EGLN1ALDH1A1KMT2A
SCHEMBL3903208 0.71 CDK1 (0.39) F10CDK1EGLN1ALDH1A1KMT2A
SCHEMBL6553729 0.69 CDK1 (0.38) F10F2CDK1EGLN1ALDH1A1
SCHEMBL3899503 0.69 NPC1 (0.53) CDK1MEN1ALDH1A1HPGDKMT2A
SCHEMBL5189193 0.67 CDK1 (0.43) F10CDK1ADORA2AEGLN1ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0976722-B1 BENZAMIDINE DERIVATIVES AJINOMOTO KK (JP) 2009-03-11 EP disclosed
US-7396844-B1 Benzamidine derivatives AJINOMOTO CO., INC. (JP) 2008-07-08 US disclosed