SCHEMBL8545691

SCHEMBL8545691

CSc1nc(C)nc(SC)c1NC(=O)Nc1c(-c2ccccc2Cl)c2cc(Cl)ccc2n(C)c1=O

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.39
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
EGFR P00533 1/20 0.39
CHEK1 O14757 1/20 0.36
WEE1 P30291 1/20 0.36
MAPT P10636 4/20 0.36
POLB P06746 2/20 0.36
NPC1 O15118 1/20 0.36
RAB9A P51151 1/20 0.36
ALDH1A1 P00352 1/20 0.35
GAA P10253 1/20 0.35
HPGD P15428 1/20 0.35
HSD17B10 Q99714 1/20 0.35
PKM P14618 1/20 0.35
LMNA P02545 1/20 0.35
THRB P10828 1/20 0.35
FPR2 P25090 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
AGPAT2 O15120 1/20 0.35

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
SCHEMBL8544183 0.93 POLB (0.37) MEN1KMT2ACHEK1WEE1MAPT
SCHEMBL8542241 0.90 MAPT (0.36) KDM4EMEN1KMT2AMAPTPOLB
SCHEMBL8537819 0.90 FPR2 (0.37) KDM4EMEN1KMT2ACHEK1WEE1
SCHEMBL8538956 0.90 SOAT1 (0.40) KDM4EMEN1KMT2AEGFRCHEK1
SCHEMBL8542206 0.83 SOAT1 (0.41) MAPTPOLBNPC1RAB9AGAA
SCHEMBL8542811 0.82 MAPT (0.35) KDM4EMEN1KMT2AEGFRCHEK1
SCHEMBL8543688 0.80 SOAT1 (0.38) KDM4EMEN1KMT2AMAPTPOLB
SCHEMBL8542487 0.80 SOAT1 (0.40) MEN1KMT2AMAPTPOLBPKM
SCHEMBL8540781 0.80 KDM4E (0.36) KDM4EMEN1KMT2AEGFRPOLB
SCHEMBL9363467 0.78 KDM4E (0.47) KDM4EKMT2APOLBLMNA

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