SCHEMBL11268547

SCHEMBL11268547

COc1ccc(C(Cc2ccc(Cl)cc2)(Cn2ccnc2)O[N+](=O)[O-])cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 6/20 0.44
IDO1 P14902 1/20 0.41
CYP11B1 P15538 2/20 0.41
CYP2A6 P11509 1/20 0.41
CYP11B2 P19099 1/20 0.41
CYP2B6 P20813 1/20 0.41
ALDH1A1 P00352 2/20 0.40
MEN1 O00255 1/20 0.38
USP2 O75604 1/20 0.38
LMNA P02545 1/20 0.38
TP53 P04637 1/20 0.38
HSP90AA1 P07900 1/20 0.38
CYP3A4 P08684 1/20 0.38
GAA P10253 1/20 0.38
MAPT P10636 1/20 0.38
TSHR P16473 1/20 0.38
NPY1R P25929 1/20 0.38
MAPK1 P28482 1/20 0.38
HTT P42858 1/20 0.38
RECQL P46063 1/20 0.38

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
SCHEMBL11272677 0.93 CYP19A1 (0.47) CYP19A1CYP11B1CYP2A6CYP11B2CYP2B6
SCHEMBL11266037 0.90 CYP19A1 (0.43) CYP19A1IDO1CYP11B1ALDH1A1
SCHEMBL11265058 0.88 CYP19A1 (0.44) CYP19A1IDO1CYP11B1CYP2A6CYP11B2
SCHEMBL11263008 0.88 CYP11B1 (0.45) CYP19A1CYP11B1CYP2A6CYP11B2CYP2B6
SCHEMBL11267646 0.88 HSP90AA1 (0.42) CYP19A1IDO1CYP11B1CYP2A6CYP11B2
SCHEMBL11269493 0.87 CYP3A4 (0.44) CYP19A1IDO1ALDH1A1MEN1USP2
SCHEMBL11278723 0.85 CYP19A1 (0.39) CYP19A1IDO1CYP11B1CYP11B2ALDH1A1
SCHEMBL11267955 0.85 HSP90AA1 (0.39) CYP19A1CYP11B1CYP11B2ALDH1A1MEN1
Nitric Acid SCHEMBL11268541 0.82 CYP19A1 (0.47) CYP19A1IDO1CYP11B1CYP2A6CYP11B2
SCHEMBL11264794 0.80 CYP11B1 (0.50) CYP19A1CYP11B1CYP11B2HSP90AA1CYP3A4

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