SCHEMBL22476592

SCHEMBL22476592

CCC(=O)Nc1cc(N(CCOC)CCOC)ccc1/N=N/c1cc(F)c([N+](=O)[O-])cc1[N+](=O)[O-]

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.37
KMT2A Q03164 4/20 0.35
LMNA P02545 3/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
RECQL P46063 2/20 0.35
SMN1; SMN2 Q16637 2/20 0.35
PKM P14618 1/20 0.35
ALDH1A1 P00352 4/20 0.34
HTT P42858 1/20 0.34
TSHR P16473 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
MEN1 O00255 2/20 0.33
RAB9A P51151 2/20 0.33
CYP1A2 P05177 1/20 0.33
CYP3A4 P08684 1/20 0.33
CYP2D6 P10635 1/20 0.33
CYP2C9 P11712 1/20 0.33
CYP2C19 P33261 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
PTGES O14684 1/20 0.33

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
SCHEMBL22474173 0.91 MAPT (0.41) MAPTKMT2ALMNASMN1; SMN2PKM
SCHEMBL22476563 0.89 LMNA (0.41) MAPTKMT2ALMNAL3MBTL1RECQL
SCHEMBL24405491 0.84 MAPT (0.40) MAPTKMT2ALMNASMN1; SMN2PKM
SCHEMBL24405204 0.83 MAPT (0.39) MAPTKMT2ALMNASMN1; SMN2ALDH1A1
SCHEMBL22476596 0.83 MAPT (0.40) MAPTKMT2ALMNAL3MBTL1RECQL
SCHEMBL22476567 0.82 NPSR1 (0.43) MAPTKMT2ALMNASMN1; SMN2PKM
SCHEMBL24405345 0.81 MAPT (0.41) MAPTKMT2ALMNAL3MBTL1SMN1; SMN2
SCHEMBL17598694 0.80 MAPT (0.45) MAPTKMT2ALMNAL3MBTL1RECQL
SCHEMBL22476570 0.78 MAPT (0.40) MAPTKMT2ALMNAL3MBTL1RECQL
SCHEMBL22474126 0.77 MAPT (0.37) MAPTKMT2ALMNAL3MBTL1SMN1; SMN2

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