SCHEMBL11268613

SCHEMBL11268613

O=[N+]([O-])OC(Cc1ccccc1Cl)(Cn1ccnc1)c1ccc(Cl)cc1Cl

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
OGG1 O15527 1/20 0.43
USP2 O75604 5/20 0.42
LMNA P02545 5/20 0.42
CYP3A4 P08684 5/20 0.42
TDP1 Q9NUW8 5/20 0.42
MAPT P10636 4/20 0.42
MAPK1 P28482 4/20 0.42
MEN1 O00255 4/20 0.42
KMT2A Q03164 4/20 0.42
HIF1A Q16665 4/20 0.42
TP53 P04637 3/20 0.42
HTT P42858 3/20 0.42
NPSR1 Q6W5P4 3/20 0.42
ALPL P05186 2/20 0.42
GAA P10253 2/20 0.42
RECQL P46063 2/20 0.42
ABCB11 O95342 1/20 0.41
HSP90AA1 P07900 3/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
TSHR P16473 2/20 0.40

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
SCHEMBL11260380 0.93 CYP3A4 (0.48) OGG1USP2LMNACYP3A4TDP1
SCHEMBL11277194 0.92 IDO1 (0.41) OGG1USP2LMNACYP3A4TDP1
SCHEMBL11268228 0.92 ALDH1A1 (0.39) OGG1USP2LMNACYP3A4TDP1
SCHEMBL11271869 0.89 IDO1 (0.44) OGG1USP2LMNACYP3A4TDP1
SCHEMBL11262282 0.89 USP2 (0.44) OGG1USP2LMNACYP3A4TDP1
SCHEMBL11277351 0.86 CYP3A4 (0.45) OGG1USP2LMNACYP3A4TDP1
SCHEMBL11268227 0.86 CYP3A4 (0.45) OGG1USP2LMNACYP3A4TDP1
SCHEMBL11269535 0.85 CYP3A4 (0.46) OGG1USP2LMNACYP3A4TDP1
SCHEMBL11268176 0.85 CYP11B1 (0.45) USP2LMNACYP3A4TDP1MAPT
SCHEMBL10956487 0.84 OGG1 (0.43) OGG1USP2LMNACYP3A4TDP1

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