SCHEMBL8540727

SCHEMBL8540727

COc1ccc2ncccc2c1NC(=O)Nc1c(-c2ccccc2Cl)c2cc(C)ccc2n(C)c1=O

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 1/20 0.40
HTR2B P41595 1/20 0.40
TP53 P04637 2/20 0.38
KDM4E B2RXH2 2/20 0.38
CYP1A2 P05177 1/20 0.38
CYP3A4 P08684 1/20 0.38
TSHR P16473 1/20 0.38
CYP2C19 P33261 1/20 0.38
MAPT P10636 2/20 0.37
FGFR1 P11362 1/20 0.37
FGFR4 P22455 1/20 0.37
POLB P06746 1/20 0.37
GAA P10253 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
HTT P42858 1/20 0.37
ALDH1A1 P00352 1/20 0.36
HPGD P15428 1/20 0.36
HSD17B10 Q99714 1/20 0.36
PTGDR2 Q9Y5Y4 1/20 0.36
IGF1R P08069 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
SCHEMBL8545213 0.93 CYP1A2 (0.42) HTR2CHTR2BTP53KDM4ECYP1A2
SCHEMBL8538103 0.90 HTR2C (0.39) HTR2CHTR2BKDM4EMAPTFGFR1
SCHEMBL8537925 0.90 MAPT (0.41) HTR2CHTR2BTP53KDM4ETSHR
SCHEMBL8544128 0.87 POLB (0.37) HTR2CHTR2BMAPTPOLBGAA
SCHEMBL8834849 0.83 HTR2C (0.47) HTR2CHTR2B
SCHEMBL8543771 0.80 POLB (0.36) KDM4EMAPTPOLBGAA
SCHEMBL8540781 0.80 KDM4E (0.36) KDM4EPOLB
SCHEMBL8544123 0.78 MEN1 (0.37) TP53KDM4EMAPTPOLBIGF1R
SCHEMBL8588425 0.78 LMNA (0.34) TP53MAPTPOLBHTT
SCHEMBL8539254 0.78 KDM4E (0.35) HTR2CHTR2BKDM4EMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0623112-B1 4-Phenyl-3-(heteroarylureido)-1,2-dihydro-2-oxoquinoline derivatives as antihypercholesterolemic and antiatherosclerotic agents PFIZER (US) 1998-12-30 EP claimed
JP-2668163-B2 1997-10-27 JP claimed
US-5565472-A 4-aryl-3-(heteroarylureido)-1,2-dihydro-2-oxo-quinoline derivatives as antihypercholesterolemic and antiatherosclerotic agents PFIZER INC. (US) 1996-10-15 US claimed
WO-1993015058-A1 4-ARYL-3-(HETEROARYLUREIDO)-1,2-DIHYDRO-2-OXO-QUINOLINE DERIVATIVES AS ANTIHYPERCHOLESTEROLEMIC AND ANTIATHEROSCLEROTIC AGENTS PFIZER INC. (US) 1993-08-05 WO claimed
EP-0623112-B1 4-Phenyl-3-(heteroarylureido)-1,2-dihydro-2-oxoquinoline derivatives as antihypercholesterolemic and antiatherosclerotic agents PFIZER (US) 1998-12-30 EP disclosed
US-5565472-A 4-aryl-3-(heteroarylureido)-1,2-dihydro-2-oxo-quinoline derivatives as antihypercholesterolemic and antiatherosclerotic agents PFIZER INC. (US) 1996-10-15 US disclosed
WO-1993015058-A1 4-ARYL-3-(HETEROARYLUREIDO)-1,2-DIHYDRO-2-OXO-QUINOLINE DERIVATIVES AS ANTIHYPERCHOLESTEROLEMIC AND ANTIATHEROSCLEROTIC AGENTS PFIZER INC. (US) 1993-08-05 WO disclosed