SCHEMBL8134403

SCHEMBL8134403

COc1c(N2CCCC2n2ccnn2)c(F)cc2c(=O)c(C(=O)O)cn(C3CC3)c12

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 9/20 0.57
▸ KCNH2 Q12809 4/20 0.57
▸ HPGD P15428 4/20 0.57
▸ ALDH1A1 P00352 4/20 0.57
▸ HSD17B10 Q99714 2/20 0.57
▸ POLB P06746 2/20 0.57
▸ TDP1 Q9NUW8 2/20 0.57
▸ PRKD3 O94806 1/20 0.57
▸ ALOX15 P16050 1/20 0.57
▸ OPRM1 P35372 1/20 0.57
▸ CLK2 P49760 1/20 0.57
▸ CLK4 Q9HAZ1 1/20 0.57
▸ MEN1 O00255 1/20 0.53
▸ KMT2A Q03164 1/20 0.53
▸ LMNA P02545 2/20 0.52
▸ CYP2C19 P33261 1/20 0.48
▸ L3MBTL1 Q9Y468 1/20 0.48
▸ GSK3B P49841 2/20 0.48
▸ NPSR1 Q6W5P4 1/20 0.47
▸ ATM Q13315 1/20 0.46

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
SCHEMBL8133566 0.85 KCNH2 (0.68) KDM4EKCNH2HPGDALDH1A1HSD17B10
SCHEMBL8134406 0.85 KCNH2 (0.68) KDM4EKCNH2HPGDALDH1A1HSD17B10
SCHEMBL8501918 0.79 KDM4E (0.75) KDM4EKCNH2HPGDALDH1A1HSD17B10
SCHEMBL9293538 0.79 ALDH1A1 (0.53) KDM4EKCNH2HPGDALDH1A1HSD17B10
SCHEMBL8135197 0.79 CACNA1F (0.54) KCNH2POLBMEN1KMT2AGSK3B
SCHEMBL9244103 0.79 KDM4E (0.56) KDM4EKCNH2HPGDALDH1A1HSD17B10
SCHEMBL8526816 0.78 KDM4E (0.74) KDM4EKCNH2HPGDALDH1A1HSD17B10
SCHEMBL28394940 0.78 KDM4E (0.61) KDM4EKCNH2HPGDALDH1A1HSD17B10
SCHEMBL28408497 0.78 KDM4E (0.70) KDM4EKCNH2HPGDALDH1A1HSD17B10
SCHEMBL9773896 0.77 KDM4E (0.75) KDM4EKCNH2HPGDALDH1A1HSD17B10

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
US-5342846-A 7-substituted-6-fluoro-1,4-dihydro-4-oxo-quinoline-3-carboxylic acid compounds and 7-(substituted triazolyl pyrrolidin-1-yl) 4-oxoquinoline-3-carboxylic acid derivatives useful as antibacterial agents SYNPHAR LABORATORIES, INC. (CA) 1994-08-30 — — US claimed
WO-1993024481-A1 7-SUBSTITUTED-6-FLUORO-1,4-DIHYDRO-4-OXO-QUINOLINE-3-CARBOXYLIC ACID COMPOUNDS AND RELATED COMPOUNDS AS ANTIBACTERIAL AGENTS SYNPHAR LABORATORIES, INC. (CA) 1993-12-09 — — WO claimed
EP-0561850-B1 7-SUBSTITUTED-6-FLUORO-1,4-DIHYDRO-4-OXO-QUINOLINE-3-CARBOXYLIC ACID COMPOUNDS USEFUL AS ANTIBACTERIAL AGENTS NAEJA PHARMACEUTICAL INC (CA) 2000-07-12 — — EP disclosed
US-5342846-A 7-substituted-6-fluoro-1,4-dihydro-4-oxo-quinoline-3-carboxylic acid compounds and 7-(substituted triazolyl pyrrolidin-1-yl) 4-oxoquinoline-3-carboxylic acid derivatives useful as antibacterial agents SYNPHAR LABORATORIES, INC. (CA) 1994-08-30 — — US disclosed
WO-1993024481-A1 7-SUBSTITUTED-6-FLUORO-1,4-DIHYDRO-4-OXO-QUINOLINE-3-CARBOXYLIC ACID COMPOUNDS AND RELATED COMPOUNDS AS ANTIBACTERIAL AGENTS SYNPHAR LABORATORIES, INC. (CA) 1993-12-09 — — WO disclosed
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