SCHEMBL8476465

SCHEMBL8476465

Cn1cc(C2=C(c3cn(C)c4cc([N+](=O)[O-])ccc34)C(=O)CC2=O)c2ccccc21

nearest known ligand 0.75

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CCNE2 O96020 1/20 0.48
CDK4 P11802 1/20 0.48
CCND1 P24385 1/20 0.48
CCNE1 P24864 1/20 0.48
CDK2 P24941 1/20 0.48
MAPT P10636 1/20 0.47
CCNT1 O60563 1/20 0.47
CDK9 P50750 1/20 0.47

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
SCHEMBL6949785 0.87 CCNT1 (0.54) CCNE2CDK4CCND1CCNE1CDK2
Enmd-981693 SCHEMBL608128 0.86 CCNE2 (0.69) CCNE2CDK4CCND1CCNE1CDK2
Enmd-981693 SCHEMBL29350364 0.86 CCNE2 (0.69) CCNE2CDK4CCND1CCNE1CDK2
SCHEMBL6949781 0.85 CCNT1 (0.52) CCNE2CDK4CCND1CCNE1CDK2
SCHEMBL7501550 0.82 CCNT1 (0.49) CCNE2CDK4CCND1CCNE1CDK2
SCHEMBL6952834 0.82 CCNT1 (0.52) CCNE2CDK4CCND1CCNE1CDK2
SCHEMBL6949919 0.82 CCNT1 (0.52) CCNE2CDK4CCND1CCNE1CDK2
SCHEMBL8162074 0.80 MAPT (0.54) CCNE2CDK4CCND1CCNE1CDK2
SCHEMBL6440413 0.79 CCNE2 (0.58) CCNE2CDK4CCND1CCNE1CDK2
SCHEMBL668748 0.79 CCNE2 (0.57) CCNE2CDK4CCND1CCNE1CDK2

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-0988863-B2 Stable complexes of poorly soluble compounds HOFFMANN LA ROCHE (CH) 2009-03-18 EP disclosed