SCHEMBL11265058

SCHEMBL11265058

O=[N+]([O-])OC(Cc1ccc(Cl)cc1)(Cn1ccnc1)c1ccc(Br)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 3/20 0.44
CYP11B1 P15538 2/20 0.44
CYP11B2 P19099 2/20 0.44
CYP2A6 P11509 1/20 0.42
CYP2B6 P20813 1/20 0.42
IDO1 P14902 1/20 0.40
MEN1 O00255 2/20 0.39
USP2 O75604 2/20 0.39
LMNA P02545 2/20 0.39
TP53 P04637 2/20 0.39
HSP90AA1 P07900 2/20 0.39
CYP3A4 P08684 2/20 0.39
MAPT P10636 2/20 0.39
MAPK1 P28482 2/20 0.39
HTT P42858 2/20 0.39
KMT2A Q03164 2/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
HIF1A Q16665 2/20 0.39
NPSR1 Q6W5P4 2/20 0.39
TDP1 Q9NUW8 2/20 0.39

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 0.95 CYP19A1 (0.47) CYP19A1CYP11B1CYP11B2CYP2A6CYP2B6
SCHEMBL11267646 0.90 HSP90AA1 (0.42) CYP19A1CYP11B1CYP11B2CYP2A6CYP2B6
SCHEMBL11258585 0.90 CYP11B1 (0.42) CYP19A1CYP11B1CYP11B2HSP90AA1CYP3A4
SCHEMBL11263008 0.90 CYP11B1 (0.45) CYP19A1CYP11B1CYP11B2CYP2A6CYP2B6
SCHEMBL11268547 0.88 CYP19A1 (0.44) CYP19A1CYP11B1CYP11B2CYP2A6CYP2B6
SCHEMBL11267974 0.84 CYP3A4 (0.42) CYP19A1CYP11B1CYP11B2CYP2A6CYP2B6
SCHEMBL11264794 0.82 CYP11B1 (0.50) CYP19A1CYP11B1CYP11B2HSP90AA1CYP3A4
Nitric Acid SCHEMBL11265057 0.80 L3MBTL1 (0.46) CYP19A1CYP11B1CYP11B2CYP2A6CYP2B6
SCHEMBL11347004 0.80 CYP19A1 (0.39) CYP19A1CYP11B1CYP11B2CYP2A6CYP2B6
SCHEMBL11270420 0.79 MEN1 (0.41) CYP19A1CYP11B1CYP11B2CYP2A6CYP2B6

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