SCHEMBL9543906

SCHEMBL9543906

O=C(O)c1cc(Oc2ccc(Cl)cc2)c(Cl)cc1[N+](=O)[O-]

nearest known ligand 0.56

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.56
KMT2A Q03164 3/20 0.56
TDP1 Q9NUW8 2/20 0.56
TTR P02766 1/20 0.56
PPOX P50336 1/20 0.56
PDE7A Q13946 2/20 0.49
SMN1; SMN2 Q16637 2/20 0.47
HPSE Q9Y251 1/20 0.46
LMNA P02545 2/20 0.45
HPGD P15428 2/20 0.45
MERTK Q12866 1/20 0.43
MAPT P10636 1/20 0.43
GAA P10253 2/20 0.43
PKM P14618 1/20 0.43
ALDH1A1 P00352 1/20 0.42
POLB P06746 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
TBXA2R P21731 1/20 0.42
PNLIP P16233 1/20 0.41

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
SCHEMBL1679893 0.86 TDP1 (0.71) MEN1KMT2ATDP1TTRPPOX
SCHEMBL2730973 0.82 TDP1 (0.76) MEN1KMT2ATDP1TTRPPOX
SCHEMBL10663721 0.81 TDP1 (0.69) MEN1KMT2ATDP1TTRPPOX
SCHEMBL17351244 0.79 PDE7A (0.52) MEN1KMT2ATDP1PDE7ASMN1; SMN2
SCHEMBL11820528 0.79 PDE7A (0.59) MEN1KMT2ATDP1TTRPDE7A
SCHEMBL1679963 0.78 TDP1 (0.64) MEN1KMT2ATDP1SMN1; SMN2LMNA
SCHEMBL28054855 0.78 MEN1 (0.46) MEN1KMT2ATDP1TTRPPOX
SCHEMBL11053422 0.77 MEN1 (0.64) MEN1KMT2ATDP1TTRPPOX
SCHEMBL9541430 0.77 ALDH1A1 (0.63) MEN1KMT2ASMN1; SMN2HPGDMAPT
SCHEMBL28256429 0.77 HPSE (0.64) MEN1KMT2ATDP1TTRPPOX

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