SCHEMBL10810239

SCHEMBL10810239

O=C(O)c1cn(C2CC2)c2cc(N3CCN(C(=O)c4ccccc4)CC3)c(F)cc2c1=O

nearest known ligand 0.75

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 5/20 0.75
ALDH1A1 P00352 4/20 0.75
PIK3CG P48736 7/20 0.72
PIK3CD O00329 5/20 0.72
PIK3R1 P27986 5/20 0.72
PIK3CA P42336 5/20 0.72
LMNA P02545 3/20 0.69
HPGD P15428 2/20 0.69
HSD17B10 Q99714 2/20 0.69
TOP2B Q02880 2/20 0.69
CYP1A2 P05177 1/20 0.69
TOP2A P11388 1/20 0.69
CYP2C9 P11712 1/20 0.69
MAPT P10636 1/20 0.68
HTT P42858 1/20 0.59
SMN1; SMN2 Q16637 1/20 0.59
CA1 P00915 1/20 0.56
CA2 P00918 1/20 0.56

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
SCHEMBL10811007 0.92 PIK3CG (0.78) KDM4EALDH1A1PIK3CGPIK3CDPIK3R1
SCHEMBL10811186 0.92 KDM4E (0.72) KDM4EALDH1A1PIK3CGPIK3CDPIK3R1
SCHEMBL10818691 0.89 PIK3CG (0.81) KDM4EALDH1A1PIK3CGPIK3CDPIK3R1
SCHEMBL10810244 0.88 PIK3CG (0.59) KDM4EALDH1A1PIK3CGPIK3CDPIK3R1
SCHEMBL825059 0.86 KDM4E (0.92) KDM4EALDH1A1PIK3CGPIK3CDPIK3R1
SCHEMBL10809240 0.86 KDM4E (1.00) KDM4EALDH1A1PIK3CGPIK3CDPIK3R1
SCHEMBL10807306 0.86 KDM4E (0.81) KDM4EALDH1A1PIK3CGPIK3CDPIK3R1
SCHEMBL29350842 0.86 KDM4E (1.00) KDM4EALDH1A1PIK3CGPIK3CDPIK3R1
SCHEMBL10920267 0.86 KDM4E (0.73) KDM4EALDH1A1PIK3CGPIK3CDPIK3R1
SCHEMBL10920123 0.86 KDM4E (0.72) KDM4EALDH1A1PIK3CGPIK3CDPIK3R1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0117473-B1 QUINOLONE CARBOXYLIC ACIDS, PROCESS FOR THEIR PREPARATION AND ANTIBACTERIAL COMPOSITIONS CONTAINING THEM BAYER AG (DE) 1987-01-28 EP disclosed
EP-0121727-B1 BACTERICIDAL AGENT BASED ON QUINOLONECARBOXYLIC ACIDS BAYER AG (DE) 1986-09-24 EP disclosed
US-4559341-A Quinolonecarboxylic acids and antibacterial agents containing these compounds BAYER AKTIENGESELLSCHAFT (DE) 1985-12-17 US disclosed
EP-0121727-A1 Bactericidal agent based on quinolonecarboxylic acids BAYER AG (DE) 1984-10-17 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