SCHEMBL11291307

SCHEMBL11291307

O=[N+]([O-])c1ccccc1N=NNc1ccccc1[N+](=O)[O-]

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 8/20 0.53
RAB9A P51151 7/20 0.53
KMT2A Q03164 7/20 0.53
MEN1 O00255 6/20 0.53
MAPT P10636 11/20 0.49
SMN1; SMN2 Q16637 2/20 0.49
MAPK1 P28482 9/20 0.49
TDP1 Q9NUW8 7/20 0.49
L3MBTL1 Q9Y468 6/20 0.49
ALDH1A1 P00352 1/20 0.49
CASP7 P55210 1/20 0.49
PLAU P00749 1/20 0.47
NPSR1 Q6W5P4 1/20 0.47
ALPI P09923 1/20 0.47
GRIN2D O15399 1/20 0.46
GRIN3B O60391 1/20 0.46
GRIN1 Q05586 1/20 0.46
GRIN2A Q12879 1/20 0.46
GRIN2B Q13224 1/20 0.46
GRIN2C Q14957 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
SCHEMBL11291304 1.00 NPC1 (0.53) NPC1RAB9AKMT2AMEN1MAPT
SCHEMBL2003140 0.83 RAB9A (0.58) NPC1RAB9AKMT2AMEN1MAPT
SCHEMBL9006320 0.83 RAB9A (0.58) NPC1RAB9AKMT2AMEN1MAPT
SCHEMBL6129308 0.81 RAB9A (0.55) NPC1RAB9AKMT2AMEN1MAPT
SCHEMBL7999930 0.81 RAB9A (0.55) NPC1RAB9AKMT2AMEN1MAPT
SCHEMBL17855982 0.75 NPC1 (0.58) NPC1RAB9AKMT2AMEN1MAPT
SCHEMBL9801440 0.74 PLAU (0.56) NPC1RAB9AKMT2AMEN1MAPT
SCHEMBL9275769 0.73 PLAU (0.59) NPC1RAB9AKMT2AMEN1MAPT
SCHEMBL9801446 0.73 PLAU (0.59) NPC1RAB9AKMT2AMEN1MAPT
SCHEMBL13021483 0.73 PLAU (0.55) NPC1RAB9AKMT2AMEN1MAPT

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
EP-0013643-B1 PRODUCTION OF HIGH-QUALITY AROMATIC AMINO AZO COMPOUNDS BY THE REARRANGEMENT OF 1,3-DIARYL TRIAZENES E.I. DU PONT DE NEMOURS AND COMPANY (US) 1982-12-08 EP disclosed
US-4279815-A DIAZOTIZATION, COUPLING HERKES FRANK E 1981-07-21 US disclosed