SCHEMBL7498379

SCHEMBL7498379

Cc1c(F)c(F)cc2c1c(=O)c(OC(=O)O)cn2C1CC1

nearest known ligand 0.46

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ KCNH2 Q12809 3/20 0.46
▸ HRH3 Q9Y5N1 1/20 0.46
▸ TOP2A P11388 8/20 0.39
▸ TOP2B Q02880 8/20 0.39
▸ KDM4E B2RXH2 3/20 0.39
▸ ALDH1A1 P00352 3/20 0.39
▸ LMNA P02545 2/20 0.38
▸ HPGD P15428 2/20 0.38
▸ HSD17B10 Q99714 2/20 0.38
▸ MAPT P10636 1/20 0.38
▸ CYP1A2 P05177 1/20 0.38
▸ CYP2C9 P11712 1/20 0.38
▸ GSK3B P49841 1/20 0.36
▸ MEN1 O00255 1/20 0.34
▸ KMT2A Q03164 1/20 0.34

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
SCHEMBL10757399 0.90 KCNH2 (0.39) KCNH2HRH3TOP2ATOP2BKDM4E
SCHEMBL7495845 0.88 TOP2A (0.38) KCNH2HRH3TOP2ATOP2BKDM4E
SCHEMBL8122355 0.86 KCNH2 (0.35) KCNH2HRH3
SCHEMBL9235299 0.86 KCNH2 (0.35) KCNH2HRH3
SCHEMBL9048539 0.84 HRH3 (0.53) KCNH2HRH3TOP2ATOP2BKDM4E
SCHEMBL9049511 0.83 KCNH2 (0.59) KCNH2HRH3TOP2ATOP2BKDM4E
SCHEMBL10378233 0.83 KCNH2 (0.48) KCNH2HRH3TOP2ATOP2BKDM4E
SCHEMBL10377463 0.83 TOP2A (0.40) KCNH2HRH3TOP2ATOP2BGSK3B
SCHEMBL10698327 0.83 KCNH2 (0.54) KCNH2HRH3TOP2ATOP2BKDM4E
SCHEMBL9416480 0.82 TOP2A (0.43) KCNH2TOP2ATOP2BKDM4EALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0944385-B1 USE OF 7-(1-AMINOMETHYL-2-OXA-7-AZA-BICYCLO 3.3.0]OCT-7-YL)-QUINOLONE CARBOXYLIC ACID AND NAPHTHYRIDONE CARBOXYLIC ACID DERIVATIVES FOR TREATING HELICOBACTER PYLORI INFECTIONS AND THE GASTRODUODENAL DISEASES ASSOCIATED THEREWITH BAYER AG (DE) 2002-10-16 — — EP disclosed
EP-0907648-B1 QUINOLONE CARBOXYLIC ACIDS SUBSTITUTED BY 7-(3-VINYL-1,4-PIPERAZINE-1-YL) BAYER AG (DE) 2002-03-06 — — EP disclosed
EP-0704443-B1 Quinolone and naphthyridone carboxylic acid derivatives BAYER AG (DE) 2000-12-27 — — EP disclosed
EP-0401623-B1 Process for the preparation of 7-(3-amino- and 3-aminomethyl-1-pyrrolidinyl)-3-quinolinonecarboxylic and -naphthyridinonecarboxylic acids BAYER AG (DE) 2000-01-26 — — EP disclosed
EP-0705828-B1 Quinolone- and naphthyridone carboxylic acid derivatives as antibacterial agents BAYER AG (DE) 1999-12-01 — — EP disclosed
EP-0721948-B1 Quinolone- and naphthyridone carboxylic acid derivatives as antibacterial agents BAYER AG (DE) 1997-12-03 — — EP disclosed
EP-0721948-A1 Quinolone- and naphthyridone carboxylic acid derivatives as antibacterial agents BAYER AG (DE) 1996-07-17 — — EP disclosed
EP-0705828-A1 Quinolone- and naphthyridone carboxylic acid derivatives as antibacterial agents BAYER AG (DE) 1996-04-10 — — EP disclosed
EP-0704443-A2 Quinolone and naphthyridone carboxylic acid derivatives BAYER AG (DE) 1996-04-03 — — EP disclosed
EP-0589318-B1 Antibacterial 7-(aminomethyl-oxa-7-azabicyclo(3.3.0)oct-7-yl)quinolone- and -naphthyridonecarboxylic acid derivatives BAYER AG (DE) 1995-11-15 — — EP disclosed
EP-0592868-A1 Quinolonecarboxylic acids BAYER AG (DE) 1994-04-20 — — EP disclosed
EP-0591808-A1 Quinolonecarboxylic acids BAYER AG (DE) 1994-04-13 — — EP disclosed
EP-0589318-A2 Antibacterial 7-(aminomethyl-oxa-7-azabicyclo(3.3.0)oct-7-yl)quinolone- and -naphthyridonecarboxylic acid derivatives BAYER AG (DE) 1994-03-30 — — EP disclosed
EP-0550903-A1 Quinolone- and naphthyridone carboxylic acid derivatives as antibacterial agents BAYER AG (DE) 1993-07-14 — — EP disclosed
EP-0401623-A1 Process for the preparation of 7-(3-amino- and 3-aminomethyl-1-pyrrolidinyl)-3-quinolinonecarboxylic and -naphthyridinonecarboxylic acids BAYER AG (DE) 1990-12-12 — — EP disclosed
EP-0391132-A1 5-Alkylquinolinone carboxylic acids BAYER AG (DE) 1990-10-10 — — EP disclosed
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