SCHEMBL13630719

SCHEMBL13630719

COc1cc(C)ccc1-c1cc(C(N)=O)c(NC(N)=O)[nH]1

nearest known ligand 0.42

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 5/20 0.42
MAPK8 P45983 3/20 0.41
CDC7 O00311 1/20 0.39
CHUK O15111 2/20 0.38
INSR P06213 2/20 0.38
CAMKK2 Q96RR4 2/20 0.38
ACHE P22303 1/20 0.38
EPHX1 P07099 1/20 0.37
KCNMA1 Q12791 2/20 0.37
FLT3 P36888 1/20 0.37
HPGD P15428 2/20 0.36
ALDH1A1 P00352 2/20 0.36
KDM4E B2RXH2 1/20 0.36
EGFR P00533 1/20 0.36
KCNK3 O14649 1/20 0.36
KCNK9 Q9NPC2 1/20 0.36
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36

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
SCHEMBL12509464 0.90 MAPK8 (0.43) BRD4MAPK8CDC7CHUKINSR
SCHEMBL2198247 0.86 BRD4 (0.46) BRD4CDC7KCNMA1ALDH1A1KDM4E
SCHEMBL2195955 0.86 CDK9 (0.42) BRD4MAPK8CDC7CHUKINSR
SCHEMBL12509581 0.85 BRD4 (0.38) BRD4MAPK8CDC7CHUKINSR
SCHEMBL2196927 0.85 CDC7 (0.54) BRD4MAPK8CDC7CHUKINSR
SCHEMBL13630194 0.83 BRD4 (0.44) BRD4MAPK8CDC7ACHEHPGD
SCHEMBL2199022 0.81 BRD4 (0.38) BRD4MAPK8CDC7CHUKINSR
SCHEMBL2197115 0.80 ADORA3 (0.44) BRD4CDC7HPGDALDH1A1KDM4E
SCHEMBL13630645 0.80 BRD4 (0.52) BRD4MAPK8CDC7CHUKINSR
SCHEMBL12509733 0.80 BRD4 (0.39) BRD4MAPK8KCNMA1ALDH1A1KDM4E

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-2116530-A1 NOVEL PYRROLE DERIVATIVE HAVING UREIDE GROUP AND AMINOCARBONYL GROUP AS SUBSTITUENTS Santen Pharmaceutical Co., Ltd (JP) 2009-11-11 EP disclosed