SCHEMBL11554686

SCHEMBL11554686

O=[N+]([O-])c1cc(Nc2ccccc2)c([N+](=O)[O-])cc1Br

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 4/20 0.63
MAPT P10636 5/20 0.62
TDP1 Q9NUW8 3/20 0.62
POLB P06746 1/20 0.62
MAPK1 P28482 3/20 0.60
ALDH1A1 P00352 2/20 0.60
HCAR3 P49019 1/20 0.60
CASP7 P55210 1/20 0.60
WNK1 Q9H4A3 1/20 0.58
MEN1 O00255 6/20 0.56
KMT2A Q03164 6/20 0.56
HSP90AA1 P07900 1/20 0.56
GFER P55789 2/20 0.51
MYC P01106 1/20 0.51
IDO1 P14902 1/20 0.51
CTSV O60911 1/20 0.49
CTSL P07711 1/20 0.49
GAA P10253 1/20 0.46
PKM P14618 1/20 0.46
HPGD P15428 1/20 0.46

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
SCHEMBL9943157 0.84 L3MBTL1 (0.70) L3MBTL1MAPTTDP1POLBMAPK1
SCHEMBL337857 0.84 L3MBTL1 (0.68) L3MBTL1MAPTTDP1POLBMAPK1
SCHEMBL30847370 0.81 L3MBTL1 (0.65) L3MBTL1MAPTTDP1POLBMAPK1
SCHEMBL1165347 0.81 L3MBTL1 (0.65) L3MBTL1MAPTTDP1POLBMAPK1
SCHEMBL31621042 0.80 ALDH1A1 (0.51) L3MBTL1MAPTTDP1POLBMAPK1
SCHEMBL23579273 0.79 MEN1 (0.57) L3MBTL1MAPTTDP1POLBMAPK1
SCHEMBL293916 0.79 MAPT (0.72) L3MBTL1MAPTTDP1POLBMAPK1
SCHEMBL8619524 0.79 L3MBTL1 (0.69) L3MBTL1MAPTTDP1POLBMAPK1
SCHEMBL1337893 0.77 L3MBTL1 (0.68) L3MBTL1MAPTTDP1POLBMAPK1
SCHEMBL11549542 0.77 L3MBTL1 (0.68) L3MBTL1MAPTTDP1POLBMAPK1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4137228-A HIGH TINCTORIAL STRENGTH, COLORFASTNESS CASSELLA AKTIENGESELLSCHAFT (DE) 1979-01-30 US disclosed
US-4033945-A Water-soluble trisazo 8-amino-naphthol-1 dyes CASSELLA FARBWERKE MAINKUR AKTIENGESELLSCHAFT (DT) 1977-07-05 US disclosed