SCHEMBL9416420

SCHEMBL9416420

O=C(O)Oc1cn(C2CC2)c2cc(Cl)ccc2c1=O

nearest known ligand 0.42

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ PIK3CD O00329 1/20 0.42
▸ PIK3R1 P27986 1/20 0.42
▸ PIK3CA P42336 1/20 0.42
▸ PIK3CG P48736 1/20 0.42
▸ KDM4E B2RXH2 2/20 0.41
▸ MAPK8 P45983 7/20 0.40
▸ PTGDR2 Q9Y5Y4 4/20 0.38
▸ MEN1 O00255 1/20 0.38
▸ KMT2A Q03164 1/20 0.38
▸ MAT2A P31153 1/20 0.37
▸ ALDH1A1 P00352 1/20 0.36
▸ LMNA P02545 1/20 0.36
▸ CYP1A2 P05177 1/20 0.36
▸ TOP2A P11388 1/20 0.36
▸ CYP2C9 P11712 1/20 0.36
▸ HPGD P15428 1/20 0.36
▸ TOP2B Q02880 1/20 0.36
▸ HSD17B10 Q99714 1/20 0.36

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
SCHEMBL11114605 0.90 PIK3CG (0.42) PIK3CDPIK3R1PIK3CAPIK3CGKDM4E
SCHEMBL27879215 0.86 PTGDR2 (0.41) PIK3CDPIK3R1PIK3CAPIK3CGKDM4E
SCHEMBL9416403 0.85 KDM4E (0.41) PIK3CDPIK3R1PIK3CAPIK3CGKDM4E
SCHEMBL10756839 0.85 KDM4E (0.40) PIK3CDPIK3R1PIK3CAPIK3CGKDM4E
SCHEMBL3815099 0.83 KDM4E (0.59) PIK3CDPIK3R1PIK3CAPIK3CGKDM4E
SCHEMBL30906935 0.83 KDM4E (0.59) PIK3CDPIK3R1PIK3CAPIK3CGKDM4E
SCHEMBL10862667 0.82 KDM4E (0.60) KDM4EMEN1KMT2AALDH1A1LMNA
SCHEMBL7851039 0.81 PIK3CG (0.36) PIK3CDPIK3R1PIK3CAPIK3CGKDM4E
SCHEMBL10863489 0.81 PIK3CD (0.45) PIK3CDPIK3R1PIK3CAPIK3CGKDM4E
SCHEMBL6240583 0.81 ALDH1A1 (0.47) PIK3CDPIK3R1PIK3CAPIK3CGKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-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-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
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