SCHEMBL6991063

SCHEMBL6991063

Cc1nc2c(s1)-c1c(SC(C)C)sc(C(N)=O)c1CC2

nearest known ligand 0.50

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CCNC P24863 15/20 0.50
CDK8 P49336 15/20 0.50
CDK19 Q9BWU1 15/20 0.50
CDK9 P50750 1/20 0.44
EEF2K O00418 2/20 0.34
LRRK2 Q5S007 1/20 0.33
KDM4E B2RXH2 1/20 0.32
ALDH1A1 P00352 1/20 0.32
CYP1A2 P05177 1/20 0.32
GAA P10253 1/20 0.32
CYP2D6 P10635 1/20 0.32
CYP2C9 P11712 1/20 0.32
CYP2C19 P33261 1/20 0.32
HTT P42858 1/20 0.32
RAB9A P51151 1/20 0.32

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
SCHEMBL6995860 0.80 CCNC (0.46) CCNCCDK8CDK19CDK9EEF2K
SCHEMBL6992996 0.71 CCNC (0.37) CCNCCDK8CDK19KDM4EALDH1A1
SCHEMBL6993362 0.68 CCNC (0.54) CCNCCDK8CDK19CDK9KDM4E
SCHEMBL18429103 0.67 CCNC (1.00) CCNCCDK8CDK19CDK9KDM4E
SCHEMBL6990670 0.66 CCNC (0.60) CCNCCDK8CDK19CDK9EEF2K
SCHEMBL6975855 0.63 CCNC (0.45) CCNCCDK8CDK19CDK9ALDH1A1
SCHEMBL6991068 0.62
SCHEMBL15001035 0.62 CCNE1 (0.41) CDK9ALDH1A1HTTRAB9A
SCHEMBL18429198 0.61 CCNC (1.00) CCNCCDK8CDK19CDK9
SCHEMBL6991483 0.59 CCNC (0.65) CCNCCDK8CDK19CDK9KDM4E

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-0931074-B1 CONDENSED 4,5,6,7-TETRAHYDROBENZO C]THIOPHENES AS ENHANCER FOR CELL DIFFERENTIATION INDUCTION FACTOR ACTION TAKEDA CHEMICAL INDUSTRIES LTD (JP) 2003-05-07 EP claimed