SCHEMBL10513596

SCHEMBL10513596

O=C(O)Oc1cn(C2CC2)c2cc(Cl)c([N+](=O)[O-])cc2c1=O

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.46
ALDH1A1 P00352 4/20 0.43
LMNA P02545 3/20 0.43
MAPT P10636 2/20 0.43
NPC1 O15118 1/20 0.42
PIK3CG P48736 4/20 0.40
PIK3CD O00329 3/20 0.40
PIK3R1 P27986 3/20 0.40
PIK3CA P42336 3/20 0.40
CA12 O43570 2/20 0.36
CA9 Q16790 2/20 0.36
KDM4E B2RXH2 3/20 0.35
HPGD P15428 2/20 0.35
HSD17B10 Q99714 2/20 0.35
CYP1A2 P05177 1/20 0.35
TOP2A P11388 1/20 0.35
CYP2C9 P11712 1/20 0.35
TOP2B Q02880 1/20 0.35
VCAM1 P19320 1/20 0.35
TOP1 P11387 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
SCHEMBL10863231 0.96 POLB (0.41) POLBALDH1A1LMNAMAPTNPC1
SCHEMBL10928728 0.87 PIK3CD (0.40) POLBALDH1A1LMNAMAPTNPC1
SCHEMBL10875591 0.87 PIK3CD (0.40) POLBALDH1A1LMNAMAPTPIK3CG
SCHEMBL10756839 0.86 KDM4E (0.40) ALDH1A1LMNAMAPTPIK3CGPIK3CD
SCHEMBL10513589 0.85 PIK3CG (0.51) POLBALDH1A1LMNAMAPTNPC1
SCHEMBL10923513 0.85 PIK3CD (0.40) POLBALDH1A1LMNAMAPTPIK3CG
SCHEMBL10882386 0.84 PIK3CD (0.38) POLBALDH1A1LMNAMAPTNPC1
SCHEMBL10876818 0.83 PIK3CD (0.41) ALDH1A1LMNAMAPTPIK3CGPIK3CD
SCHEMBL6240583 0.82 ALDH1A1 (0.47) POLBALDH1A1LMNAMAPTPIK3CG
SCHEMBL10929947 0.82 KDM4E (0.39) ALDH1A1LMNAMAPTPIK3CGPIK3CD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0332033-A2 N-cyclopropyl anilines and their use in processes for the synthesis of 1-cyclopropyl-quinolone-carboxylic acids and their derivatives BAYER AG (DE) 1989-09-13 EP disclosed
EP-0230274-A2 Derivatives of 7-(azabicycloalkyl)-quinoloncarboxylic acid and -naphthyridoncarboxylic acid BAYER AG (DE) 1987-07-29 EP disclosed
EP-0117473-B1 QUINOLONE CARBOXYLIC ACIDS, PROCESS FOR THEIR PREPARATION AND ANTIBACTERIAL COMPOSITIONS CONTAINING THEM BAYER AG (DE) 1987-01-28 EP disclosed
EP-0117474-B1 QUINOLONE CARBOXYLIC ACIDS, PROCESS FOR THEIR PREPARATION AND ANTIBACTERIAL COMPOSITIONS CONTAINING THEM BAYER AG (DE) 1986-10-29 EP disclosed
EP-0121727-B1 BACTERICIDAL AGENT BASED ON QUINOLONECARBOXYLIC ACIDS BAYER AG (DE) 1986-09-24 EP disclosed
EP-0113091-B1 MICROBIOCIDAL AGENTS BASED ON QUINOLONE-CARBOXYLIC ACIDS BAYER AG (DE) 1986-07-30 EP disclosed
EP-0118854-B1 BACTERICIDAL AGENT CONTAINING QUINOLONE-CARBOXYLIC ACIDS BAYER AG (DE) 1986-07-23 EP disclosed
EP-0168733-A2 Process for the preparation of quinolinone and naphthyridoncarboxylic acids BAYER AG (DE) 1986-01-22 EP disclosed
EP-0121727-A1 Bactericidal agent based on quinolonecarboxylic acids BAYER AG (DE) 1984-10-17 EP disclosed
EP-0118854-A1 Bactericidal agent containing quinolone-carboxylic acids BAYER AG (DE) 1984-09-19 EP disclosed
EP-0117473-A1 Quinolone carboxylic acids, process for their preparation and antibacterial compositions containing them BAYER AG (DE) 1984-09-05 EP disclosed
EP-0117474-A1 Quinolone carboxylic acids, process for their preparation and antibacterial compositions containing them BAYER AG (DE) 1984-09-05 EP disclosed
EP-0113091-A1 Microbiocidal agents based on quinolone-carboxylic acids BAYER AG (DE) 1984-07-11 EP disclosed