SCHEMBL8135169

SCHEMBL8135169

O=C(O)c1cn(C2CC2)c2c(F)c(N3CCC(n4cncn4)C3)c(F)cc2c1=O

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KCNH2 Q12809 6/20 0.59
▸ ALDH1A1 P00352 5/20 0.57
▸ POLB P06746 2/20 0.57
▸ OPRM1 P35372 2/20 0.57
▸ CHRM2 P08172 1/20 0.57
▸ CHRM1 P11229 1/20 0.57
▸ OPRD1 P41143 1/20 0.57
▸ TOP2A P11388 6/20 0.55
▸ TOP2B Q02880 6/20 0.55
▸ KDM4E B2RXH2 4/20 0.53
▸ HPGD P15428 4/20 0.53
▸ HSD17B10 Q99714 3/20 0.53
▸ PRKD3 O94806 1/20 0.53
▸ ALOX15 P16050 1/20 0.53
▸ CLK2 P49760 1/20 0.53
▸ CLK4 Q9HAZ1 1/20 0.53
▸ TDP1 Q9NUW8 1/20 0.53
▸ LMNA P02545 2/20 0.49
▸ MEN1 O00255 1/20 0.46
▸ KMT2A Q03164 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
SCHEMBL9596626 0.96 KCNH2 (0.55) KCNH2ALDH1A1POLBOPRM1CHRM2
SCHEMBL9293625 0.96 KCNH2 (0.55) KCNH2ALDH1A1POLBOPRM1CHRM2
SCHEMBL9292520 0.95 KCNH2 (0.55) KCNH2ALDH1A1POLBOPRM1CHRM2
SCHEMBL8136907 0.91 KCNH2 (0.70) KCNH2ALDH1A1POLBOPRM1CHRM2
SCHEMBL9293628 0.88 ALDH1A1 (0.46) KCNH2ALDH1A1POLBOPRM1CHRM2
SCHEMBL9293571 0.88 KCNH2 (0.59) KCNH2ALDH1A1POLBOPRM1CHRM2
SCHEMBL9293141 0.85 ALDH1A1 (0.56) KCNH2ALDH1A1POLBOPRM1CHRM2
SCHEMBL8132017 0.85 MEN1 (0.52) KCNH2ALDH1A1POLBOPRM1CHRM2
SCHEMBL8130099 0.85 ALDH1A1 (0.56) KCNH2ALDH1A1POLBOPRM1CHRM2
SCHEMBL8136415 0.85 ALDH1A1 (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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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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