SCHEMBL22476567

SCHEMBL22476567

CCCN(CCC)c1ccc(/N=N/c2cc(F)c([N+](=O)[O-])cc2[N+](=O)[O-])c(NC(C)=O)c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 3/20 0.43
MAPT P10636 3/20 0.43
KMT2A Q03164 1/20 0.38
HCAR3 P49019 1/20 0.37
ALDH1A1 P00352 4/20 0.36
TSHR P16473 2/20 0.36
TDP1 Q9NUW8 2/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
GALR2 O43603 1/20 0.36
MITF O75030 1/20 0.36
LMNA P02545 1/20 0.36
POLB P06746 1/20 0.36
HSP90AA1 P07900 1/20 0.36
HPGD P15428 1/20 0.36
XBP1 P17861 1/20 0.36
CCR6 P51684 1/20 0.36
GAA P10253 2/20 0.36
CYP3A4 P08684 1/20 0.34
MAPK1 P28482 1/20 0.34
HTT P42858 1/20 0.34

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
SCHEMBL17598694 0.92 MAPT (0.45) NPSR1MAPTKMT2AHCAR3ALDH1A1
SCHEMBL24405491 0.90 MAPT (0.40) NPSR1MAPTKMT2AALDH1A1TSHR
SCHEMBL22474173 0.89 MAPT (0.41) NPSR1MAPTKMT2AHCAR3ALDH1A1
SCHEMBL24405345 0.89 MAPT (0.41) NPSR1MAPTKMT2AALDH1A1TSHR
SCHEMBL22476596 0.89 MAPT (0.40) NPSR1MAPTKMT2AALDH1A1TSHR
SCHEMBL24405362 0.86 MAPT (0.39) NPSR1MAPTKMT2AHCAR3ALDH1A1
SCHEMBL24405206 0.86 KMT2A (0.43) NPSR1MAPTKMT2AALDH1A1TDP1
SCHEMBL22476570 0.86 MAPT (0.40) NPSR1MAPTKMT2AHCAR3ALDH1A1
SCHEMBL22474168 0.85 MAPT (0.41) NPSR1MAPTKMT2AALDH1A1TSHR
SCHEMBL22476560 0.84 TDP1 (0.36) MAPTKMT2AHCAR3ALDH1A1TSHR

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