SCHEMBL11267646

SCHEMBL11267646

O=[N+]([O-])OC(Cc1ccccc1)(Cn1ccnc1)c1ccc(Cl)cc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSP90AA1 P07900 3/20 0.42
CYP11B1 P15538 4/20 0.42
CYP11B2 P19099 4/20 0.42
CYP19A1 P11511 4/20 0.42
CYP3A4 P08684 4/20 0.42
MAPT P10636 3/20 0.42
CYP1A2 P05177 2/20 0.42
CYP2D6 P10635 2/20 0.42
POLB P06746 2/20 0.42
TBXAS1 P24557 1/20 0.42
QPCT Q16769 1/20 0.42
CYP4Z1 Q86W10 1/20 0.42
QPCTL Q9NXS2 1/20 0.42
CYP2A6 P11509 1/20 0.41
CYP2B6 P20813 1/20 0.41
MEN1 O00255 2/20 0.39
USP2 O75604 2/20 0.39
LMNA P02545 2/20 0.39
TP53 P04637 2/20 0.39
MAPK1 P28482 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
SCHEMBL11263008 0.96 CYP11B1 (0.45) HSP90AA1CYP11B1CYP11B2CYP19A1CYP3A4
SCHEMBL11272677 0.95 CYP19A1 (0.47) HSP90AA1CYP11B1CYP11B2CYP19A1CYP3A4
SCHEMBL11264794 0.92 CYP11B1 (0.50) HSP90AA1CYP11B1CYP11B2CYP19A1CYP3A4
SCHEMBL11265058 0.90 CYP19A1 (0.44) HSP90AA1CYP11B1CYP11B2CYP19A1CYP3A4
SCHEMBL11258585 0.89 CYP11B1 (0.42) HSP90AA1CYP11B1CYP11B2CYP19A1CYP3A4
SCHEMBL11268547 0.88 CYP19A1 (0.44) HSP90AA1CYP11B1CYP11B2CYP19A1CYP3A4
SCHEMBL11271869 0.86 IDO1 (0.44) HSP90AA1CYP11B1CYP11B2CYP19A1CYP3A4
SCHEMBL11270420 0.84 MEN1 (0.41) HSP90AA1CYP11B1CYP11B2CYP19A1CYP3A4
SCHEMBL11269535 0.84 CYP3A4 (0.46) HSP90AA1CYP11B1CYP11B2CYP19A1CYP3A4
SCHEMBL11263596 0.83 CYP11B1 (0.45) HSP90AA1CYP11B1CYP11B2CYP19A1CYP3A4

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