SCHEMBL11669404

SCHEMBL11669404

O=[N+]([O-])Nc1cc(Br)cc(N[N+](=O)[O-])c1

nearest known ligand 0.37

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
S100A4 P26447 1/20 0.37
TRPV1 Q8NER1 1/20 0.37
ACP1 P24666 1/20 0.36
MEN1 O00255 2/20 0.33
KMT2A Q03164 2/20 0.33
ERN1 O75460 1/20 0.32
HTR6 P50406 1/20 0.32
MAPT P10636 1/20 0.30

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
SCHEMBL11568356 0.79 MEN1 (0.46) TRPV1MEN1KMT2AMAPT
SCHEMBL2567841 0.77 HTR6 (0.33) HTR6
SCHEMBL10835888 0.76 MEN1 (0.43) MEN1KMT2AMAPT
SCHEMBL10798876 0.74 MEN1 (0.34) MEN1KMT2AERN1
SCHEMBL11380871 0.73 MEN1 (0.33) MEN1KMT2AERN1
Ammonia Solution, Strong SCHEMBL11568377 0.73 MEN1 (0.33) MEN1KMT2AERN1
SCHEMBL11375965 0.73 MEN1 (0.33) MEN1KMT2AERN1
SCHEMBL8595756 0.71 SOS1 (0.37) MEN1KMT2AMAPT
SCHEMBL10796412 0.71 GRIN2D (0.42) MEN1KMT2AMAPT
SCHEMBL10796310 0.71 NMT1 (0.41) ERN1

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-4042580-A Phenylazophenyl dyes having an alkoxyacylamino group on the coupling component radical SANDOZ LTD. (CH) 1977-08-16 US disclosed
US-4038269-A 2'-ALKOXYACYLAMINO-4'-ALKYLAMINO-4-NITRO-1,1'-AZOBENZENE DISPERSE DYES SANDOZ LTD. (CH) 1977-07-26 US disclosed