SCHEMBL9541430

SCHEMBL9541430

Nc1cc(Cl)c(Oc2ccc(Cl)cc2)cc1C(=O)O

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.63
HPGD P15428 2/20 0.63
POLB P06746 1/20 0.63
GAA P10253 1/20 0.63
L3MBTL1 Q9Y468 1/20 0.63
CYP1A2 P05177 2/20 0.49
CYP2C9 P11712 2/20 0.49
CYP2C19 P33261 2/20 0.49
SMN1; SMN2 Q16637 2/20 0.49
KDM4E B2RXH2 1/20 0.49
MEN1 O00255 1/20 0.49
CYP2D6 P10635 1/20 0.49
MAPT P10636 1/20 0.49
KMT2A Q03164 1/20 0.49
PNLIP P16233 6/20 0.45
FFAR1 O14842 2/20 0.45
CYP3A4 P08684 1/20 0.44
IDO1 P14902 1/20 0.44
MRGPRX4 Q96LA9 1/20 0.43
STK39 Q9UEW8 1/20 0.42

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
SCHEMBL10580567 0.79 ALDH1A1 (0.68) ALDH1A1HPGDPOLBGAAL3MBTL1
Hydrochloric Acid SCHEMBL10667156 0.78 ALDH1A1 (0.67) ALDH1A1HPGDPOLBGAAL3MBTL1
SCHEMBL9543906 0.77 MEN1 (0.56) ALDH1A1HPGDPOLBGAAL3MBTL1
SCHEMBL8901023 0.77 PNLIP (0.52) ALDH1A1HPGDPOLBGAAL3MBTL1
SCHEMBL11577659 0.76 GAA (0.54) ALDH1A1HPGDPOLBGAAL3MBTL1
SCHEMBL7023175 0.76 GAA (0.58) ALDH1A1HPGDPOLBGAAL3MBTL1
SCHEMBL17351273 0.74 MAPT (0.54) ALDH1A1HPGDL3MBTL1CYP1A2CYP2C9
SCHEMBL28521601 0.72 TSHR (0.63) ALDH1A1POLBSMN1; SMN2MAPTSTK39
SCHEMBL2778881 0.72 MAPT (0.61) ALDH1A1HPGDGAAL3MBTL1CYP1A2
SCHEMBL29842430 0.72 MAPT (0.61) ALDH1A1HPGDGAAL3MBTL1CYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-1993012795-A1 QUINAZOLIN-4(3H)-ONE DERIVATIVES AS ANTICOCCIDIAL AGENTS GLAZER EDWARD A (US) 1993-07-08 WO disclosed
US-4920224-A CHEMICAL INTERMEDIATES PFIZER INC. (US) 1990-04-24 US disclosed
US-4849518-A ANTIPROTOZOA IN POULTRY PFIZER INC. (US) 1989-07-18 US disclosed
US-4762838-A Quinazolin-4(3H)-one derivatives as anticoccidial agents PFIZER INC. (US) 1988-08-09 US disclosed