SCHEMBL9688801

SCHEMBL9688801

COc1c(F)c(N2CCC(CN(C)C)C2)c(Cl)c2c1c(=O)c(C(=O)O)cn2C1CC1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 6/20 0.55
ALDH1A1 P00352 4/20 0.47
POLB P06746 4/20 0.47
OPRM1 P35372 2/20 0.47
CHRM2 P08172 1/20 0.47
CHRM1 P11229 1/20 0.47
OPRD1 P41143 1/20 0.47
KDM4E B2RXH2 8/20 0.46
HPGD P15428 3/20 0.46
TDP1 Q9NUW8 2/20 0.46
PRKD3 O94806 1/20 0.46
ALOX15 P16050 1/20 0.46
CLK2 P49760 1/20 0.46
HSD17B10 Q99714 1/20 0.46
CLK4 Q9HAZ1 1/20 0.46
MEN1 O00255 1/20 0.45
KMT2A Q03164 1/20 0.45
LMNA P02545 2/20 0.44
CACNA1F O60840 1/20 0.43
MAPK1 P28482 1/20 0.43

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
SCHEMBL9689869 0.89 POLB (0.49) KCNH2ALDH1A1POLBOPRM1CHRM2
SCHEMBL9687756 0.88 KCNH2 (0.56) KCNH2ALDH1A1POLBOPRM1CHRM2
SCHEMBL9689308 0.85 POLB (0.65) KCNH2ALDH1A1POLBOPRM1CHRM2
SCHEMBL9688853 0.85 KCNH2 (0.59) KCNH2ALDH1A1POLBOPRM1KDM4E
SCHEMBL9773756 0.82 KCNH2 (0.81) KCNH2ALDH1A1POLBOPRM1CHRM2
SCHEMBL10529357 0.81 ALDH1A1 (0.71) KCNH2ALDH1A1POLBOPRM1CHRM2
SCHEMBL9689368 0.79 MEN1 (0.53) KCNH2ALDH1A1POLBOPRM1KDM4E
SCHEMBL9688699 0.79 KCNH2 (0.57) KCNH2ALDH1A1POLBOPRM1CHRM2
SCHEMBL8123817 0.78 KCNH2 (0.66) KCNH2ALDH1A1POLBOPRM1CHRM2
SCHEMBL9689525 0.78 KCNH2 (0.56) KCNH2ALDH1A1POLBOPRM1CHRM2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0265230-A1 Substituted-6-fluoro-4-oxo-1,4-dihydroquinoline-3-carboxylic acids, derivatives thereof, pharmaceutical compositions comprising the compounds, and processes for producing the compounds WARNER-LAMBERT COMPANY (US) 1988-04-27 EP claimed
US-5097032-A Quinoline- and naphthyridine carboxylic acids, salts WARNER-LAMBERT COMPANY (US) 1992-03-17 US disclosed
EP-0265230-B1 SUBSTITUTED-6-FLUORO-4-OXO-1,4-DIHYDROQUINOLINE-3-CARBOXYLIC ACIDS, DERIVATIVES THEREOF, PHARMACEUTICAL COMPOSITIONS COMPRISING THE COMPOUNDS, AND PROCESSES FOR PRODUCING THE COMPOUNDS WARNER-LAMBERT COMPANY (US) 1992-01-08 EP disclosed
US-4822801-A 4-oxo-1,4-dihydroquinoline-3-carboxylic acid derivative as antibacterial agents WARNER-LAMBERT COMPANY (US) 1989-04-18 US disclosed
EP-0265230-A1 Substituted-6-fluoro-4-oxo-1,4-dihydroquinoline-3-carboxylic acids, derivatives thereof, pharmaceutical compositions comprising the compounds, and processes for producing the compounds WARNER-LAMBERT COMPANY (US) 1988-04-27 EP disclosed