SCHEMBL11263596

SCHEMBL11263596

O=[N+]([O-])OC(Cc1c(Cl)cccc1Cl)(Cn1ccnc1)c1ccccc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP11B1 P15538 4/20 0.45
CYP11B2 P19099 4/20 0.45
HSP90AA1 P07900 1/20 0.45
ALOX15 P16050 3/20 0.38
MAPK1 P28482 2/20 0.38
ALDH1A1 P00352 1/20 0.38
HSD17B10 Q99714 1/20 0.38
CYP19A1 P11511 5/20 0.37
TSHR P16473 3/20 0.37
CYP1A2 P05177 3/20 0.36
CYP3A4 P08684 3/20 0.36
CYP2D6 P10635 3/20 0.36
MAPT P10636 2/20 0.36
TBXAS1 P24557 2/20 0.36
POLB P06746 1/20 0.36
QPCT Q16769 1/20 0.36
CYP4Z1 Q86W10 1/20 0.36
QPCTL Q9NXS2 1/20 0.36
LMNA P02545 3/20 0.36
CYP17A1 P05093 3/20 0.36

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
SCHEMBL11268176 0.89 CYP11B1 (0.45) CYP11B1CYP11B2HSP90AA1ALOX15MAPK1
SCHEMBL11278723 0.89 CYP19A1 (0.39) CYP11B1CYP11B2HSP90AA1ALDH1A1CYP19A1
SCHEMBL11264794 0.85 CYP11B1 (0.50) CYP11B1CYP11B2HSP90AA1ALOX15CYP19A1
SCHEMBL11263008 0.85 CYP11B1 (0.45) CYP11B1CYP11B2HSP90AA1MAPK1ALDH1A1
SCHEMBL11262282 0.84 USP2 (0.44) CYP11B1CYP11B2HSP90AA1ALOX15MAPK1
SCHEMBL11269535 0.84 CYP3A4 (0.46) CYP11B1CYP11B2HSP90AA1MAPK1ALDH1A1
SCHEMBL11267646 0.83 HSP90AA1 (0.42) CYP11B1CYP11B2HSP90AA1ALOX15MAPK1
SCHEMBL11276190 0.81 MEN1 (0.40) CYP11B1CYP11B2HSP90AA1ALOX15MAPK1
SCHEMBL11267955 0.80 HSP90AA1 (0.39) CYP11B1CYP11B2HSP90AA1MAPK1ALDH1A1
Nitric Acid SCHEMBL11263590 0.80 HSP90AA1 (0.53) CYP11B1CYP11B2HSP90AA1ALOX15MAPK1

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