SCHEMBL8545213

SCHEMBL8545213

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

nearest known ligand 0.45

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.42
CYP3A4 P08684 1/20 0.42
TSHR P16473 1/20 0.42
CYP2C19 P33261 1/20 0.42
HTR2C P28335 1/20 0.41
HTR2B P41595 1/20 0.41
ALDH1A1 P00352 1/20 0.41
IGF1R P08069 3/20 0.40
MAPT P10636 4/20 0.39
THRB P10828 1/20 0.39
BRD4 O60885 1/20 0.39
TP53 P04637 1/20 0.39
KDM4E B2RXH2 2/20 0.38
FGFR1 P11362 1/20 0.37
FGFR4 P22455 1/20 0.37

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
SCHEMBL8540727 0.93 HTR2C (0.40) CYP1A2CYP3A4TSHRCYP2C19HTR2C
SCHEMBL8537925 0.91 MAPT (0.41) TSHRHTR2CHTR2BALDH1A1MAPT
SCHEMBL8538103 0.91 HTR2C (0.39) HTR2CHTR2BMAPTBRD4KDM4E
SCHEMBL8543771 0.87 POLB (0.36) MAPTKDM4E
SCHEMBL8540781 0.87 KDM4E (0.36) KDM4E
SCHEMBL8544123 0.85 MEN1 (0.37) IGF1RMAPTTP53KDM4E
SCHEMBL8835115 0.82 HTR2C (0.48) HTR2CHTR2BIGF1R
SCHEMBL8544128 0.80 POLB (0.37) HTR2CHTR2BMAPT
SCHEMBL8539254 0.78 KDM4E (0.35) HTR2CHTR2BMAPTBRD4KDM4E
SCHEMBL8588425 0.78 LMNA (0.34) MAPTTHRBTP53

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 9 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
EP-0623112-A1 4-ARYL-3-(HETEROARYLUREIDO)-1,2-DIHYDRO-2-OXO-QUINOLINE DERIVATIVES AS ANTIHYPERCHOLESTEROLEMIC AND ANTIATHEROSCLEROTIC AGENTS PFIZER INC. (US) 1994-11-09 EP 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
EP-0623112-A1 4-ARYL-3-(HETEROARYLUREIDO)-1,2-DIHYDRO-2-OXO-QUINOLINE DERIVATIVES AS ANTIHYPERCHOLESTEROLEMIC AND ANTIATHEROSCLEROTIC AGENTS PFIZER INC. (US) 1994-11-09 EP 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