SCHEMBL8089652

SCHEMBL8089652

O=C(O)c1cn(C2CC2)c2c(Cl)c(F)c(F)c(Cl)c2c1=O

nearest known ligand 0.58

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.58
KMT2A Q03164 1/20 0.58
POLB P06746 2/20 0.54
KCNH2 Q12809 2/20 0.54
CACNA1F O60840 1/20 0.54
MAPK1 P28482 1/20 0.54
CACNA1D Q01668 1/20 0.54
CACNA1S Q13698 1/20 0.54
CACNA1C Q13936 1/20 0.54
GSK3B P49841 9/20 0.53
TOP2A P11388 6/20 0.53
TOP2B Q02880 6/20 0.53
ALDH1A1 P00352 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
HRH3 Q9Y5N1 1/20 0.45

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
SCHEMBL9689460 0.91 MEN1 (0.55) MEN1KMT2APOLBKCNH2CACNA1F
SCHEMBL6773817 0.91 MEN1 (0.57) MEN1KMT2APOLBKCNH2CACNA1F
SCHEMBL7852654 0.90 MEN1 (0.56) MEN1KMT2APOLBKCNH2CACNA1F
SCHEMBL9162172 0.90 CACNA1F (0.64) MEN1KMT2APOLBKCNH2CACNA1F
SCHEMBL9687713 0.87 GSK3B (0.54) MEN1KMT2APOLBKCNH2CACNA1F
SCHEMBL9689368 0.87 MEN1 (0.53) MEN1KMT2APOLBKCNH2CACNA1F
SCHEMBL9741404 0.87 MEN1 (0.56) MEN1KMT2APOLBKCNH2CACNA1F
SCHEMBL9088549 0.84 MEN1 (0.51) MEN1KMT2APOLBKCNH2CACNA1F
SCHEMBL9585430 0.82 GSK3B (0.57) MEN1KMT2APOLBKCNH2CACNA1F
SCHEMBL5704411 0.82 GSK3B (0.66) MEN1KMT2APOLBKCNH2CACNA1F

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
EP-0520240-A1 7-Isoindolinyl-quinolone and naphthyridonecarboxylic acid derivatives BAYER AG (DE) 1992-12-30 EP claimed
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-5464796-A Bactericides and feed additives BAYER AKTIENGESELLSCHAFT (DE) 1995-11-07 US disclosed
EP-0588166-A2 Antibacterial 7-isoindolinyl-quinolone and naphthyridone derivatives BAYER AG (DE) 1994-03-23 EP disclosed
EP-0520240-A1 7-Isoindolinyl-quinolone and naphthyridonecarboxylic acid derivatives BAYER AG (DE) 1992-12-30 EP disclosed