SCHEMBL4675220

SCHEMBL4675220

CCOC(=O)c1cn([C@@H]2C[C@@H]2F)c2c(OC)ccc(N)c2c1=O

nearest known ligand 0.41

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
STAT3 P40763 1/20 0.40
HTT P42858 2/20 0.38
CYP3A4 P08684 1/20 0.38
DPP4 P27487 3/20 0.37
GNRHR P30968 1/20 0.36
ALDH1A1 P00352 2/20 0.36
HSD17B10 Q99714 1/20 0.36
LMNA P02545 2/20 0.35
MAPT P10636 1/20 0.35
SMN1; SMN2 Q16637 3/20 0.35
TSHR P16473 2/20 0.35
CNR1 P21554 1/20 0.35
CNR2 P34972 1/20 0.35
KDM4E B2RXH2 1/20 0.35
CYP1A2 P05177 1/20 0.35
GAA P10253 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
CASP1 P29466 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
SCHEMBL4671198 0.86 CYP3A4 (0.46) CYP3A4DPP4ALDH1A1SMN1; SMN2CNR2
SCHEMBL2082137 0.82 STAT3 (0.41) STAT3HTTCYP3A4ALDH1A1HSD17B10
SCHEMBL2082138 0.82 STAT3 (0.41) STAT3HTTCYP3A4ALDH1A1HSD17B10
SCHEMBL2078701 0.81 STAT3 (0.43) STAT3HTTCYP3A4ALDH1A1HSD17B10
SCHEMBL2078703 0.81 STAT3 (0.43) STAT3HTTCYP3A4ALDH1A1HSD17B10
SCHEMBL4675217 0.79 STAT3 (0.40) STAT3HTTDPP4GNRHRALDH1A1
SCHEMBL13483600 0.78 STAT3 (0.52) STAT3HTTALDH1A1TSHRKDM4E
SCHEMBL9096244 0.78 STAT3 (0.62) STAT3HTTALDH1A1HSD17B10SMN1; SMN2
SCHEMBL8539874 0.78 STAT3 (0.62) STAT3HTTALDH1A1HSD17B10SMN1; SMN2
SCHEMBL4672032 0.78 STAT3 (0.62) STAT3HTTALDH1A1HSD17B10SMN1; SMN2

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1304329-B1 Pyridonecarboxylic acid derivatives and their use as antibacterial agents DAIICHI SANKYO CO LTD (JP) 2008-10-15 EP disclosed
EP-1304329-A2 Pyridonecarboxylic acid derivatives and their use as antibacterial agents DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2003-04-23 EP disclosed
EP-0807630-A1 HETEROCYCLIC COMPOUNDS DAIICHI PHARMACEUTICAL CO., LTD. (JP) 1997-11-19 EP disclosed