SCHEMBL6948982

SCHEMBL6948982

COc1c(N2CC3CC3(N)C2)c(F)cc2c(=O)c(C(=O)O)cn(C3(F)CC3)c12

nearest known ligand 0.49

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 4/20 0.49
KDM4E B2RXH2 7/20 0.48
HPGD P15428 4/20 0.48
ALDH1A1 P00352 3/20 0.48
HSD17B10 Q99714 2/20 0.48
POLB P06746 1/20 0.48
PRKD3 O94806 1/20 0.48
ALOX15 P16050 1/20 0.48
OPRM1 P35372 1/20 0.48
CLK2 P49760 1/20 0.48
CLK4 Q9HAZ1 1/20 0.48
TDP1 Q9NUW8 1/20 0.48
TOP1 P11387 6/20 0.45
MEN1 O00255 1/20 0.45
KMT2A Q03164 1/20 0.45
LMNA P02545 1/20 0.44
CYP3A4 P08684 1/20 0.42
CYP2C19 P33261 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41

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
SCHEMBL4677281 0.89 KCNH2 (0.49) KCNH2KDM4EHPGDALDH1A1HSD17B10
SCHEMBL8940663 0.86 KCNH2 (0.67) KCNH2KDM4EHPGDALDH1A1HSD17B10
SCHEMBL6948985 0.85 CYP3A4 (0.58) KCNH2KDM4EHPGDALDH1A1HSD17B10
SCHEMBL6957895 0.84 KCNH2 (0.42) KCNH2KDM4EHPGDALDH1A1HSD17B10
SCHEMBL28391101 0.80 KCNH2 (0.63) KCNH2KDM4EHPGDALDH1A1HSD17B10
SCHEMBL30415810 0.80 KCNH2 (0.63) KCNH2KDM4EHPGDALDH1A1HSD17B10
SCHEMBL4748873 0.79 CYP3A4 (0.56) KCNH2KDM4EHPGDALDH1A1HSD17B10
SCHEMBL2670423 0.79 CYP3A4 (0.56) KCNH2KDM4EHPGDALDH1A1HSD17B10
SCHEMBL2670422 0.79 CYP3A4 (0.56) KCNH2KDM4EHPGDALDH1A1HSD17B10
SCHEMBL4750066 0.79 CYP3A4 (0.56) KCNH2KDM4EHPGDALDH1A1HSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0807630-B1 HETEROCYCLIC COMPOUNDS DAIICHI SEIYAKU CO (JP) 2003-05-07 EP claimed
EP-0807630-B1 HETEROCYCLIC COMPOUNDS DAIICHI SEIYAKU CO (JP) 2003-05-07 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