SCHEMBL2463940

SCHEMBL2463940

CCCOc1cccc2c(=O)c(-c3ccc(OC)cc3)c(F)[nH]c12

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TNKS O95271 2/20 0.40
PARP1 P09874 1/20 0.40
TNKS2 Q9H2K2 1/20 0.40
CYP1A1 P04798 1/20 0.39
CYP1A2 P05177 1/20 0.39
CYP1B1 Q16678 1/20 0.39
GRM2 Q14416 1/20 0.39
KDM4E B2RXH2 5/20 0.39
KMT2A Q03164 2/20 0.39
MAPT P10636 2/20 0.39
MEN1 O00255 1/20 0.39
LMNA P02545 1/20 0.39
POLB P06746 1/20 0.39
BLM P54132 1/20 0.39
MCL1 Q07820 1/20 0.39
CA1 P00915 1/20 0.39
CA2 P00918 1/20 0.39
HPGD P15428 6/20 0.39
ALDH1A1 P00352 5/20 0.39
KLK7 P49862 1/20 0.39

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
SCHEMBL2432181 0.78 HPGD (0.43) TNKSPARP1TNKS2CYP1A1CYP1A2
SCHEMBL1136167 0.73 MAOB (0.39) PTGS2L3MBTL1
SCHEMBL1136308 0.73 MAOB (0.39) MAPTPOLBHPGDPTGS2ATM
SCHEMBL2434710 0.72 KDM4E (0.44) KDM4EHPGDALDH1A1TSHRSMN1; SMN2
SCHEMBL2458247 0.71 ALDH1A1 (0.40) TNKSKDM4EMAPTLMNAHPGD
SCHEMBL2581501 0.71 ERN1 (0.38) PTGS2
SCHEMBL2492254 0.71 MAOB (0.37) PTGS2
SCHEMBL1136363 0.71 MAOB (0.37) KDM4EMAPTBLMALDH1A1PTGS2
SCHEMBL1136380 0.71 MAOB (0.39) PTGS2
SCHEMBL2461285 0.70 PTGS2 (0.40) KDM4EALDH1A1PTGS2SMN1; 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2364298-A1 Quinolone compound and pharmaceutical composition Otsuka Pharmaceutical Co., Ltd. (JP) 2011-09-14 EP disclosed