SCHEMBL22476572

SCHEMBL22476572

CCN(CC(=O)OC)c1ccc(/N=N/c2cc(F)c([N+](=O)[O-])cc2[N+](=O)[O-])cc1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 8/20 0.38
POLB P06746 2/20 0.38
MAPT P10636 11/20 0.38
KMT2A Q03164 7/20 0.38
MEN1 O00255 6/20 0.38
L3MBTL1 Q9Y468 4/20 0.38
LMNA P02545 4/20 0.38
KDM4E B2RXH2 2/20 0.38
THRB P10828 2/20 0.38
PTBP1 P26599 1/20 0.38
MAPK1 P28482 5/20 0.37
NPC1 O15118 4/20 0.37
RAB9A P51151 4/20 0.37
SMN1; SMN2 Q16637 3/20 0.37
TDP1 Q9NUW8 2/20 0.37
ALPL P05186 1/20 0.37
ALPI P09923 1/20 0.37
ALPG P10696 1/20 0.37
NFKB1 P19838 1/20 0.37
NFKB2 Q00653 1/20 0.37

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
SCHEMBL22474140 0.88 MAPT (0.41) ALDH1A1POLBMAPTKMT2AMEN1
SCHEMBL24405277 0.87 MAPT (0.47) ALDH1A1POLBMAPTKMT2AMEN1
SCHEMBL22476570 0.86 MAPT (0.40) ALDH1A1POLBMAPTKMT2AMEN1
SCHEMBL22474165 0.84 MAPT (0.37) ALDH1A1POLBMAPTKMT2AMEN1
SCHEMBL22476618 0.80 MAPT (0.53) ALDH1A1MAPTKMT2AMEN1L3MBTL1
SCHEMBL13881763 0.79 ALDH1A1 (0.51) ALDH1A1POLBMAPTKMT2AMEN1
SCHEMBL24405265 0.78 MAPT (0.38) ALDH1A1POLBMAPTKMT2AMEN1
SCHEMBL19501349 0.77 NPC1 (0.44) ALDH1A1POLBMAPTKMT2AMEN1
SCHEMBL22474147 0.76 ALDH1A1 (0.35) ALDH1A1POLBMAPTKMT2AMEN1
SCHEMBL17598694 0.76 MAPT (0.45) ALDH1A1POLBMAPTKMT2AMEN1

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-3715423-B1 HIGH WET FAST DISPERSE DYE MIXTURES OF N-[4-(5-FLUORO-2,4-DINITRO-PHENYLAZO)-PHENYL]-AMINE DERIVATIVES AND N-[4-(4-NITRO-PHENYLAZO)-PHENYL]-AMINE DERIVATIVES DYSTAR COLOURS DISTRIB GMBH (DE) 2022-05-11 EP disclosed
EP-3715423-A1 HIGH WET FAST DISPERSE DYE MIXTURES OF N-[4-(5-FLUORO-2,4-DINITRO-PHENYLAZO)-PHENYL]-AMINE DERIVATIVES AND N-[4-(4-NITRO-PHENYLAZO)-PHENYL]-AMINE DERIVATIVES DyStar Colours Distribution GmbH (DE) 2020-09-30 EP disclosed