SCHEMBL11266037

SCHEMBL11266037

COc1ccc(C(Cc2ccc(Cl)c(Cl)c2)(Cn2ccnc2)O[N+](=O)[O-])cc1

nearest known ligand 0.43

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 6/20 0.43
ALDH1A1 P00352 1/20 0.40
IDO1 P14902 1/20 0.40
WDR5 P61964 3/20 0.39
FNTA P49354 1/20 0.37
FNTB P49356 1/20 0.37
PGGT1B P53609 1/20 0.37
CYP11B1 P15538 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
SCHEMBL11268547 0.90 CYP19A1 (0.44) CYP19A1ALDH1A1IDO1CYP11B1
SCHEMBL11278723 0.85 CYP19A1 (0.39) CYP19A1ALDH1A1IDO1CYP11B1
SCHEMBL11269493 0.84 CYP3A4 (0.44) CYP19A1ALDH1A1IDO1FNTAFNTB
SCHEMBL11267955 0.84 HSP90AA1 (0.39) CYP19A1ALDH1A1CYP11B1
Nitric Acid SCHEMBL11266033 0.83 CYP19A1 (0.44) CYP19A1ALDH1A1IDO1WDR5
SCHEMBL11272677 0.82 CYP19A1 (0.47) CYP19A1ALDH1A1CYP11B1
SCHEMBL11263184 0.79 CYP19A1 (0.48) CYP19A1IDO1WDR5FNTAFNTB
SCHEMBL11260241 0.79 CYP3A4 (0.40) CYP19A1ALDH1A1IDO1FNTAFNTB
SCHEMBL11265058 0.78 CYP19A1 (0.44) CYP19A1ALDH1A1IDO1CYP11B1
SCHEMBL11263008 0.77 CYP11B1 (0.45) CYP19A1ALDH1A1CYP11B1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4358458-A BACTERICIDE, FUNGICIDES NORDMARK-WERKE GMBH (DE) 1982-11-09 US disclosed