SCHEMBL11268176

SCHEMBL11268176

O=[N+]([O-])OC(Cc1ccccc1Cl)(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
CYP19A1 P11511 8/20 0.38
ALOX15 P16050 2/20 0.38
MAPK1 P28482 2/20 0.38
ALDH1A1 P00352 1/20 0.38
HSD17B10 Q99714 1/20 0.38
TSHR P16473 2/20 0.37
TBXAS1 P24557 4/20 0.36
CYP1A2 P05177 2/20 0.36
CYP3A4 P08684 2/20 0.36
CYP2D6 P10635 2/20 0.36
MAPT P10636 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
L3MBTL1 Q9Y468 2/20 0.36
MEN1 O00255 1/20 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
SCHEMBL11267955 0.90 HSP90AA1 (0.39) CYP11B1CYP11B2HSP90AA1CYP19A1MAPK1
SCHEMBL11269535 0.90 CYP3A4 (0.46) CYP11B1CYP11B2HSP90AA1CYP19A1MAPK1
SCHEMBL11263596 0.89 CYP11B1 (0.45) CYP11B1CYP11B2HSP90AA1CYP19A1ALOX15
SCHEMBL11264794 0.85 CYP11B1 (0.50) CYP11B1CYP11B2HSP90AA1CYP19A1ALOX15
SCHEMBL11263008 0.85 CYP11B1 (0.45) CYP11B1CYP11B2HSP90AA1CYP19A1MAPK1
SCHEMBL11268613 0.85 OGG1 (0.43) HSP90AA1ALOX15MAPK1ALDH1A1TSHR
SCHEMBL11267646 0.83 HSP90AA1 (0.42) CYP11B1CYP11B2HSP90AA1CYP19A1ALOX15
SCHEMBL11277194 0.83 IDO1 (0.41) CYP11B1CYP11B2HSP90AA1MAPK1ALDH1A1
SCHEMBL11268228 0.83 ALDH1A1 (0.39) HSP90AA1CYP19A1ALOX15MAPK1ALDH1A1
SCHEMBL11267259 0.80 CYP3A4 (0.45) HSP90AA1CYP19A1MAPK1ALDH1A1TSHR

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