SCHEMBL6207088

SCHEMBL6207088

O=C(O)c1ccc2c(c1)NC=CO2

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALOX5 P09917 1/20 0.47
▸ ALDH1A1 P00352 5/20 0.43
▸ MAPK1 P28482 1/20 0.43
▸ HTT P42858 1/20 0.40
▸ POLB P06746 2/20 0.38
▸ SMN1; SMN2 Q16637 1/20 0.38
▸ TDP1 Q9NUW8 1/20 0.37
▸ KDM4E B2RXH2 5/20 0.37
▸ GAA P10253 2/20 0.37
▸ MAPT P10636 2/20 0.37
▸ CA12 O43570 1/20 0.37
▸ CA1 P00915 1/20 0.37
▸ CA2 P00918 1/20 0.37
▸ CA4 P22748 1/20 0.37
▸ CA6 P23280 1/20 0.37
▸ PTGS2 P35354 1/20 0.37
▸ CA7 P43166 1/20 0.37
▸ CA9 Q16790 1/20 0.37
▸ CA14 Q9ULX7 1/20 0.37
▸ L3MBTL1 Q9Y468 1/20 0.37

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
SCHEMBL6918957 0.86 ALDH1A1 (0.43) ALOX5ALDH1A1MAPK1POLBTDP1
SCHEMBL18128163 0.86 TSHR (0.46) ALOX5ALDH1A1SMN1; SMN2KDM4ETSHR
SCHEMBL19859433 0.75 TSHR (0.45) ALDH1A1SMN1; SMN2KDM4ETSHRRAB9A
SCHEMBL6030031 0.74 — —
SCHEMBL18522671 0.74 TSHR (0.46) ALOX5ALDH1A1MAPK1HTTPOLB
SCHEMBL9309297 0.74 ALDH1A1 (0.57) ALOX5ALDH1A1MAPK1POLBTDP1
SCHEMBL28400911 0.71 ALOX5 (0.83) ALOX5ALDH1A1MAPK1HTTPOLB
SCHEMBL5515460 0.70 ALDH1A1 (0.42) ALDH1A1TDP1KDM4EPTGS2TSHR
SCHEMBL8471689 0.70 ALDH1A1 (0.53) ALOX5ALDH1A1MAPK1HTTPOLB
SCHEMBL1239351 0.69 HTT (0.46) ALOX5ALDH1A1HTTPOLBSMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1020459-B1 CIS-DISUBSTITUTED AMINOCYCLOALKYL-PYRROLIDINE DERIVATIVES DAIICHI SEIYAKU CO (JP) 2005-04-06 — — EP claimed
EP-0831869-A4 DIPHOSPHONATE DERIVATIVES OF THERAPEUTIC AGENTS ELIZANOR BIOPHARMACEUTICALS IN (US) 1999-04-21 — — EP claimed
EP-0831869-A1 DIPHOSPHONATE DERIVATIVES OF THERAPEUTIC AGENTS Elizanor Biopharmaceuticals, Inc. (US) 1998-04-01 — — EP claimed
WO-1996040190-A1 DIPHOSPHONATE DERIVATIVES OF THERAPEUTIC AGENTS ELIZANOR BIOPHARMACEUTICALS, INC. (US) 1996-12-19 — — WO claimed
JP-60184014-A — — None — — JP disclosed
JP-6016673-A — — None — — JP disclosed
EP-1020459-B1 CIS-DISUBSTITUTED AMINOCYCLOALKYL-PYRROLIDINE DERIVATIVES DAIICHI SEIYAKU CO (JP) 2005-04-06 — — EP disclosed
CN-1081951-C Use of ion exchange resins loaded with quioolonecarboxylic acid derivatives BAYER AG (DE) 2002-04-03 — — CN disclosed
CN-1054040-C Preparation of ion exchange resins carrying quinolone carboxylic acid derivatives BAYER AG (DE) 2000-07-05 — — CN disclosed
CN-1108968-A Use of ion exchange resins loaded with quioolonecarboxylic acid derivatives BAYER AG (DE) 1995-09-27 — — CN disclosed
CN-1102184-A Novel pyridonecarboxylic acid derivatives and processes for preparing the same KOREA RES INST CHEM TECH (KR) 1995-05-03 — — CN disclosed
WO-1994002487-A1 NOVEL PYRIDONECARBOXYLIC ACID DERIVATIVES AND PROCESSES FOR PREPARING THE SAME KOREA RESEARCH INSTITUTE OF CHEMICAL TECHNOLOGY (KR) 1994-02-03 — — WO disclosed
JP-H0616673-A 7-OXO-7H-PYRIDO(1,2,3-DE)(1,4)BENZOXADINE-6-CAROXYLIC ACID AND ITS ESTER BAYER AG 1994-01-25 — — JP disclosed
EP-0253235-B1 1,8-BRIDGED 4-QUINOLONE CARBOXYLIC ACIDS AND MEDICAMENTS CONTANING THEM BAYER AG (DE) 1991-01-02 — — EP disclosed
US-4826985-A Intermediates for preparation of racemate and optically active ofloxacin and related derivatives ABBOTT LABORATORIES (US) 1989-05-02 — — US disclosed
CN-88103473-A Preparation and application of ion exchange resin loaded with quinolone carboxylic acid derivative — 1988-12-28 — — CN disclosed
US-4777253-A Process for preparation of racemate and optically active ofloxacin and related derivatives ABBOTT LABORATORIES (US) 1988-10-11 — — US disclosed
EP-0187315-A2 Basic quinolonecarboxylic-acid preparations BAYER AG (DE) 1986-07-16 — — EP disclosed
US-4571396-A Antibacterial agents WARNER-LAMBERT COMPANY (US) 1986-02-18 — — US disclosed
JP-S60184014-A PREVENTIVE AND REMEDY FOR MYCOPLASMOSIS OF ANIMAL DAI ICHI SEIYAKU CO LTD 1985-09-19 — — JP disclosed
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