SCHEMBL933959

SCHEMBL933959

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

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 10/20 0.54
KMT2A Q03164 9/20 0.54
RAB9A P51151 8/20 0.54
MEN1 O00255 8/20 0.54
MAPT P10636 12/20 0.50
MAPK1 P28482 9/20 0.50
TDP1 Q9NUW8 8/20 0.50
L3MBTL1 Q9Y468 7/20 0.50
SMN1; SMN2 Q16637 3/20 0.50
ALDH1A1 P00352 1/20 0.50
CASP7 P55210 1/20 0.50
NPSR1 Q6W5P4 1/20 0.48
ALPI P09923 1/20 0.48
GAA P10253 4/20 0.46
PKM P14618 1/20 0.45
LMNA P02545 1/20 0.45
RECQL P46063 1/20 0.45
KAT2B Q92831 1/20 0.44
CYP1A2 P05177 1/20 0.44
CYP3A4 P08684 1/20 0.44

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
SCHEMBL17855982 0.77 NPC1 (0.58) NPC1KMT2ARAB9AMEN1MAPT
SCHEMBL29365061 0.74 NPC1 (0.55) NPC1KMT2ARAB9AMEN1MAPT
SCHEMBL397773 0.73 MAPK1 (0.77) NPC1KMT2ARAB9AMEN1MAPT
SCHEMBL11291307 0.71 NPC1 (0.53) NPC1KMT2ARAB9AMEN1MAPT
SCHEMBL11291304 0.71 NPC1 (0.53) NPC1KMT2ARAB9AMEN1MAPT
SCHEMBL9343840 0.71 NPC1 (0.65) NPC1KMT2ARAB9AMEN1MAPT
SCHEMBL11910974 0.70 MAPT (0.60) NPC1KMT2ARAB9AMEN1MAPT
SCHEMBL973213 0.70 MAPK1 (0.60) NPC1KMT2ARAB9AMEN1MAPT
SCHEMBL950729 0.70 MAPK1 (0.60) NPC1KMT2ARAB9AMEN1MAPT
SCHEMBL373368 0.70 MAPK1 (0.60) NPC1KMT2ARAB9AMEN1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-106999632-B Collagen sponge 盖斯特里希医药公司 2018-03-20 CN disclosed
CN-106999632-A Collagen sponge 盖斯特里希医药公司 2017-08-01 CN disclosed
EP-2451981-A1 METHOD FOR GENERATING APTAMERS WITH IMPROVED OFF-RATES Somalogic, Inc. (US) 2012-05-16 EP disclosed
WO-2011006075-A1 METHOD FOR GENERATING APTAMERS WITH IMPROVED OFF-RATES SOMALOGIC, INC. (US) 2011-01-13 WO disclosed