SCHEMBL7647773

SCHEMBL7647773

COc1ccc(Oc2cc(NC(C)=O)c(OCc3ccccc3)cc2[N+](=O)[O-])cc1

nearest known ligand 0.60

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 1/20 0.60
MAPT P10636 3/20 0.52
MEN1 O00255 2/20 0.52
KMT2A Q03164 2/20 0.52
BRD4 O60885 7/20 0.50
ALDH1A1 P00352 2/20 0.48
KDM4E B2RXH2 1/20 0.48
CYP1A2 P05177 1/20 0.48
CYP2C9 P11712 1/20 0.48
CYP2C19 P33261 1/20 0.48
CTSV O60911 3/20 0.47
CTSL P07711 3/20 0.47
MGAT2 Q10469 1/20 0.46
GAA P10253 1/20 0.45

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
SCHEMBL7146338 0.89 CYP19A1 (0.57) CYP19A1MAPTMEN1KMT2ABRD4
SCHEMBL7152141 0.87 CYP19A1 (0.54) CYP19A1MAPTMEN1KMT2ABRD4
SCHEMBL7647175 0.81 CYP19A1 (0.67) CYP19A1MAPTMEN1KMT2ABRD4
SCHEMBL7645892 0.81 KMT2A (0.48) CYP19A1MAPTMEN1KMT2AALDH1A1
SCHEMBL7650190 0.81 CYP19A1 (0.67) CYP19A1MAPTMEN1KMT2ABRD4
SCHEMBL27238124 0.81 CYP19A1 (0.52) CYP19A1MAPTMEN1KMT2ABRD4
SCHEMBL10417341 0.78 KMT2A (0.56) MAPTMEN1KMT2AALDH1A1
SCHEMBL31556186 0.77 PKM (0.65) CYP19A1MAPTMEN1KMT2ABRD4
SCHEMBL13811014 0.77 GAA (0.50) MAPTMEN1KMT2AALDH1A1CYP1A2
SCHEMBL11634119 0.77 PKM (0.65) CYP19A1MAPTMEN1KMT2ABRD4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6482953-B1 2-benzyloxy-4-nitro-5-substituted-acylanilide compounds and method of using them EASTMAN KODAK COMPANY 2002-11-19 US disclosed
US-6482985-B1 2-benzyloxy-5-halo-acylanilide compounds and method of using them EASTMAN KODAK COMPANY 2002-11-19 US disclosed