SCHEMBL11271869

SCHEMBL11271869

O=[N+]([O-])OC(Cc1ccccc1)(Cn1ccnc1)c1ccc(Cl)cc1Cl

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 6/20 0.44
OGG1 O15527 1/20 0.44
CYP3A4 P08684 9/20 0.42
TDP1 Q9NUW8 6/20 0.42
MAPT P10636 5/20 0.42
USP2 O75604 5/20 0.42
LMNA P02545 5/20 0.42
MAPK1 P28482 4/20 0.42
MEN1 O00255 4/20 0.42
KMT2A Q03164 4/20 0.42
TP53 P04637 3/20 0.42
HTT P42858 3/20 0.42
HIF1A Q16665 3/20 0.42
NPSR1 Q6W5P4 3/20 0.42
HSP90AA1 P07900 3/20 0.42
SMN1; SMN2 Q16637 3/20 0.42
ALPL P05186 2/20 0.42
GAA P10253 2/20 0.42
RECQL P46063 2/20 0.42
POLB P06746 2/20 0.42

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
SCHEMBL11268002 0.90 IDO1 (0.46) IDO1OGG1CYP3A4TDP1MAPT
SCHEMBL11270420 0.90 MEN1 (0.41) IDO1OGG1CYP3A4TDP1MAPT
SCHEMBL11268613 0.89 OGG1 (0.43) IDO1OGG1CYP3A4TDP1MAPT
SCHEMBL11262282 0.88 USP2 (0.44) IDO1OGG1CYP3A4TDP1MAPT
SCHEMBL11260380 0.88 CYP3A4 (0.48) IDO1OGG1CYP3A4TDP1MAPT
SCHEMBL10956487 0.87 OGG1 (0.43) IDO1OGG1CYP3A4TDP1MAPT
SCHEMBL11267646 0.86 HSP90AA1 (0.42) IDO1CYP3A4TDP1MAPTUSP2
SCHEMBL10958787 0.86 OGG1 (0.42) IDO1OGG1CYP3A4TDP1MAPT
SCHEMBL11267974 0.84 CYP3A4 (0.42) IDO1OGG1CYP3A4TDP1MAPT
SCHEMBL11263008 0.84 CYP11B1 (0.45) CYP3A4TDP1MAPTUSP2LMNA

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