SCHEMBL11268228

SCHEMBL11268228

O=[N+]([O-])OC(Cc1ccccc1Cl)(Cn1ccnc1)c1ccc(Cl)cc1Br

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.39
MEN1 O00255 5/20 0.38
KMT2A Q03164 5/20 0.38
USP2 O75604 5/20 0.38
LMNA P02545 5/20 0.38
CYP3A4 P08684 5/20 0.38
TDP1 Q9NUW8 5/20 0.38
MAPT P10636 4/20 0.38
MAPK1 P28482 4/20 0.38
HIF1A Q16665 4/20 0.38
TP53 P04637 3/20 0.38
HTT P42858 3/20 0.38
NPSR1 Q6W5P4 3/20 0.38
ALPL P05186 2/20 0.38
GAA P10253 2/20 0.38
RECQL P46063 2/20 0.38
OGG1 O15527 1/20 0.38
KDM4E B2RXH2 1/20 0.38
ABCB11 O95342 1/20 0.37
HSP90AA1 P07900 4/20 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
SCHEMBL11268227 0.93 CYP3A4 (0.45) ALDH1A1MEN1KMT2AUSP2LMNA
SCHEMBL11268613 0.92 OGG1 (0.43) ALDH1A1MEN1KMT2AUSP2LMNA
SCHEMBL11276190 0.90 MEN1 (0.40) ALDH1A1MEN1KMT2AUSP2LMNA
SCHEMBL11277194 0.89 IDO1 (0.41) ALDH1A1MEN1KMT2AUSP2LMNA
SCHEMBL11270420 0.89 MEN1 (0.41) ALDH1A1MEN1KMT2AUSP2LMNA
SCHEMBL11267974 0.87 CYP3A4 (0.42) ALDH1A1MEN1KMT2AUSP2LMNA
SCHEMBL11260241 0.85 CYP3A4 (0.40) ALDH1A1MEN1KMT2AUSP2LMNA
SCHEMBL11260380 0.85 CYP3A4 (0.48) ALDH1A1MEN1KMT2AUSP2LMNA
SCHEMBL11268176 0.83 CYP11B1 (0.45) ALDH1A1MEN1KMT2AUSP2LMNA
Nitric Acid SCHEMBL11268225 0.83 L3MBTL1 (0.44) ALDH1A1MEN1KMT2AUSP2LMNA

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