SCHEMBL4339928

SCHEMBL4339928

CC1CCN(C(C)Oc2ccc(F)cc2-c2cc(C(N)=O)c(NC(N)=O)[nH]2)CC1

nearest known ligand 0.37

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CCNT1 O60563 14/20 0.37
CDK9 P50750 14/20 0.37
BRD4 O60885 2/20 0.37
ABL1 P00519 1/20 0.35
KCNT1 Q5JUK3 1/20 0.34
KDM4E B2RXH2 1/20 0.34
ALDH1A1 P00352 1/20 0.34
HPGD P15428 1/20 0.34

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
SCHEMBL2195866 0.81 ALDH1A1 (0.47) CCNT1CDK9KDM4EALDH1A1
SCHEMBL4344137 0.80 BRD4 (0.43) BRD4ALDH1A1
SCHEMBL4357005 0.79 BRD4 (0.42) BRD4ALDH1A1HPGD
SCHEMBL4344141 0.79 BRD4 (0.41) CCNT1CDK9BRD4ABL1
SCHEMBL4351733 0.79 BRD4 (0.41) BRD4KDM4EALDH1A1HPGD
SCHEMBL4350108 0.78 SLC9A1 (0.38) BRD4ALDH1A1
SCHEMBL2197511 0.77 BRD4 (0.46) CCNT1CDK9BRD4
SCHEMBL4344585 0.75 BRD4 (0.45) CCNT1CDK9BRD4ALDH1A1
SCHEMBL4344042 0.75 BRD4 (0.38) CCNT1CDK9BRD4HPGD
SCHEMBL2196441 0.74 BRD4 (0.44) CCNT1CDK9BRD4KDM4EALDH1A1

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-2116530-B1 NOVEL PYRROLE DERIVATIVE HAVING UREIDE GROUP AND AMINOCARBONYL GROUP AS SUBSTITUENTS SANTEN PHARMACEUTICAL CO LTD (JP) 2012-11-14 EP claimed
EP-2116530-A1 NOVEL PYRROLE DERIVATIVE HAVING UREIDE GROUP AND AMINOCARBONYL GROUP AS SUBSTITUENTS Santen Pharmaceutical Co., Ltd (JP) 2009-11-11 EP claimed