SCHEMBL8132377

SCHEMBL8132377

O=C(O)c1cn(-c2ccc(F)cc2)c2c(F)c(N3CCC(n4ccnn4)C3)c(F)cc2c1=O

nearest known ligand 0.47

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 6/20 0.47
▸ KDM4E B2RXH2 5/20 0.47
▸ POLB P06746 2/20 0.45
▸ HSP90AA1 P07900 1/20 0.45
▸ RXFP1 Q9HBX9 1/20 0.45
▸ LMNA P02545 2/20 0.45
▸ MEN1 O00255 1/20 0.45
▸ KMT2A Q03164 1/20 0.45
▸ HPGD P15428 4/20 0.44
▸ HSD17B10 Q99714 4/20 0.44
▸ TOP1 P11387 4/20 0.43
▸ CHRM2 P08172 1/20 0.43
▸ CHRM1 P11229 1/20 0.43
▸ OPRM1 P35372 1/20 0.43
▸ OPRD1 P41143 1/20 0.43
▸ TOP2A P11388 6/20 0.43
▸ TOP2B Q02880 4/20 0.43
▸ KCNH2 Q12809 1/20 0.43
▸ PMP22 Q01453 1/20 0.42

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
SCHEMBL8122493 0.89 KDM4E (0.45) ALDH1A1KDM4EPOLBHSP90AA1RXFP1
SCHEMBL8136415 0.86 ALDH1A1 (0.56) ALDH1A1KDM4EPOLBLMNAHPGD
SCHEMBL9293425 0.84 KDM4E (0.61) ALDH1A1KDM4EPOLBHPGDHSD17B10
SCHEMBL10373776 0.83 KDM4E (0.62) ALDH1A1KDM4EPOLBHSP90AA1RXFP1
SCHEMBL9869412 0.82 TOP2A (0.61) ALDH1A1POLBKMT2ATOP1CHRM2
Hydrochloric Acid SCHEMBL9869916 0.81 TOP2A (0.60) ALDH1A1POLBKMT2ATOP1CHRM2
SCHEMBL9293538 0.81 ALDH1A1 (0.53) ALDH1A1KDM4EPOLBLMNAMEN1
SCHEMBL10374512 0.81 ALDH1A1 (0.50) ALDH1A1KDM4EPOLBHSP90AA1RXFP1
SCHEMBL10895749 0.80 TOP1 (0.63) ALDH1A1KDM4EPOLBHSP90AA1RXFP1
SCHEMBL9293080 0.80 TOP2A (0.56) ALDH1A1KDM4EPOLBMEN1KMT2A

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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