SCHEMBL8084266

SCHEMBL8084266

O=C(O)c1cn(C2CC2)c2c(F)c(F)ccc2c1=O

nearest known ligand 0.64

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ TOP2A P11388 8/20 0.64
▸ TOP2B Q02880 8/20 0.64
▸ ALDH1A1 P00352 3/20 0.49
▸ POLB P06746 1/20 0.49
▸ CHRM2 P08172 1/20 0.49
▸ CHRM1 P11229 1/20 0.49
▸ OPRM1 P35372 1/20 0.49
▸ OPRD1 P41143 1/20 0.49
▸ MEN1 O00255 1/20 0.49
▸ KMT2A Q03164 1/20 0.49
▸ KDM4E B2RXH2 3/20 0.49
▸ LMNA P02545 1/20 0.48
▸ CYP1A2 P05177 1/20 0.48
▸ CYP2C9 P11712 1/20 0.48
▸ HPGD P15428 1/20 0.48
▸ HSD17B10 Q99714 1/20 0.48
▸ GSK3B P49841 3/20 0.47
▸ KCNH2 Q12809 3/20 0.47

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
SCHEMBL10330771 0.88 TOP2A (0.60) TOP2ATOP2BPOLBMEN1KMT2A
SCHEMBL143295 0.88 TOP2A (0.60) TOP2ATOP2BALDH1A1POLBCHRM2
SCHEMBL10915179 0.87 TOP2A (0.58) TOP2ATOP2BALDH1A1POLBCHRM2
SCHEMBL2081014 0.87 TOP2A (0.56) TOP2ATOP2BALDH1A1POLBCHRM2
SCHEMBL4482132 0.87 ALDH1A1 (0.58) TOP2ATOP2BALDH1A1POLBCHRM2
SCHEMBL8785240 0.85 TOP2A (0.54) TOP2ATOP2BALDH1A1POLBCHRM2
SCHEMBL9146693 0.84 CYP3A4 (0.48) TOP2ATOP2BALDH1A1POLBCHRM2
SCHEMBL9146697 0.84 CYP3A4 (0.48) TOP2ATOP2BALDH1A1POLBCHRM2
SCHEMBL29463823 0.84 TOP2A (0.71) TOP2ATOP2BALDH1A1POLBCHRM2
SCHEMBL500719 0.84 TOP2A (0.71) TOP2ATOP2BALDH1A1POLBCHRM2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-1016767-A — — None — — JP disclosed
US-6018054-A INTERMEDIATE COMPOUNDS FOR PREPARING NOVEL QUINOLONE AND NAPHTHYRIDONE DERIVATIVES WHICH ARE SUBSTITUTED IN THE 7-POSITION BY A PARTIALLY HYDROGENATED ISOINDOLINYL RING, USE AS ANTIBACTERIAL AGENTS AND AS FEED ADDITIVES BAYER AKTIENGESELLSCHAFT (DE) 2000-01-25 — — US disclosed
US-5739339-A BACTERICIDES, ANTIPROTOZOA AGENTS BAYER AKTIENGESELLSCHAFT (DE) 1998-04-14 — — US disclosed
US-5556979-A ANIMAL FEEDS BAYER AKTIENGESELLSCHAFT (DE) 1996-09-17 — — US disclosed
EP-0588166-B1 Antibacterial 7-isoindolinyl-quinolone and naphthyridone derivatives BAYER AG (DE) 1996-06-05 — — EP disclosed
US-5457104-A Antibacterials BAYER AKTIENGESELLSCHAFT (DE) 1995-10-10 — — US disclosed
EP-0607825-A1 6-H-4-OXO-3-quinoline-carboxylic acids and their analogues as antibacterial agents BAYER AG (DE) 1994-07-27 — — EP disclosed
EP-0588166-A2 Antibacterial 7-isoindolinyl-quinolone and naphthyridone derivatives BAYER AG (DE) 1994-03-23 — — EP disclosed
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