SCHEMBL13570435

SCHEMBL13570435

Cc1cc(CC(=O)N2CCCC2C(N)=O)on1

nearest known ligand 0.52

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ VHL P40337 3/20 0.52
▸ DPP4 P27487 8/20 0.46
▸ CCNE1 P24864 4/20 0.43
▸ CDK2 P24941 4/20 0.43
▸ GSK3B P49841 3/20 0.43
▸ DPP9 Q86TI2 1/20 0.41
▸ HTR1A P08908 3/20 0.41
▸ HTR7 P34969 3/20 0.41
▸ PREP P48147 1/20 0.41

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
SCHEMBL21696738 1.00 VHL (0.52) VHLDPP4CCNE1CDK2GSK3B
SCHEMBL15126220 0.89 VHL (0.53) VHLCCNE1CDK2GSK3BPREP
SCHEMBL21696618 0.86 VHL (0.53) VHLDPP4CCNE1CDK2GSK3B
SCHEMBL21696556 0.84 CCNE1 (0.54) VHLCCNE1CDK2GSK3B
SCHEMBL15112607 0.84 VHL (0.55) VHLCCNE1CDK2GSK3B
SCHEMBL21696439 0.84 CCNE1 (0.54) VHLCCNE1CDK2GSK3B
SCHEMBL21696674 0.81 VHL (0.50) VHLCCNE1CDK2GSK3B
SCHEMBL16277194 0.80 VHL (0.76) VHLCCNE1CDK2GSK3B
SCHEMBL15125912 0.80 VHL (0.76) VHLCCNE1CDK2GSK3B
SCHEMBL21696706 0.79 CCNE1 (0.54) VHLCCNE1CDK2GSK3B

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-2519506-A1 HEPATITIS C VIRUS INHIBITORS Bristol-Myers Squibb Company (US) 2012-11-07 — — EP claimed
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