SCHEMBL13368166

SCHEMBL13368166

CCOC(=O)c1c[nH]c2c(C#N)c(N3CC[C@@H](C4(NC(=O)OC(C)(C)C)CC4)C3)c(F)cc2c1=O

nearest known ligand 0.38

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
STAT3 P40763 1/20 0.38
CYP1A2 P05177 1/20 0.37
CYP3A4 P08684 1/20 0.37
CYP2C19 P33261 1/20 0.37
KDM4E B2RXH2 4/20 0.34
KCNH2 Q12809 3/20 0.34
CLEC4M Q9H2X3 1/20 0.34
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
ALDH1A1 P00352 2/20 0.33
HPGD P15428 2/20 0.33
HSD17B10 Q99714 2/20 0.33
MAPT P10636 1/20 0.33
BTK Q06187 1/20 0.32
GABRA1 P14867 2/20 0.31
GABRB2 P47870 2/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
GABRB1 P18505 1/20 0.31
GABRA3 P34903 1/20 0.31

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
SCHEMBL13368170 0.92 KCNH2 (0.35) KDM4EKCNH2ALDH1A1HPGDHSD17B10
SCHEMBL14014256 0.83 STAT3 (0.42) STAT3CYP3A4CYP2C19KDM4EKCNH2
SCHEMBL13341768 0.83 STAT3 (0.42) STAT3CYP3A4CYP2C19KDM4EKCNH2
SCHEMBL13341766 0.76 CYP3A4 (0.45) CYP3A4CYP2C19KDM4EKCNH2ALDH1A1
SCHEMBL14014253 0.76 CYP3A4 (0.45) CYP3A4CYP2C19KDM4EKCNH2ALDH1A1
SCHEMBL3578342 0.74 MEN1 (0.35) KDM4EMEN1KMT2AALDH1A1HPGD
SCHEMBL13368174 0.73 SCN5A (0.47) CYP3A4KCNH2ALDH1A1
SCHEMBL17494299 0.73 KCNH2 (0.58) KCNH2
SCHEMBL13368169 0.71 CYP1A2 (0.57) STAT3CYP1A2CYP3A4CYP2C19KDM4E
SCHEMBL13968307 0.70 CYP2C19 (0.40) CYP1A2CYP3A4CYP2C19KDM4ECLEC4M

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
US-7723524-B2 8-cyanoquinolonecarboxylic acid derivative DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2010-05-25 US disclosed