SCHEMBL22476560

SCHEMBL22476560

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

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 3/20 0.36
ALDH1A1 P00352 3/20 0.36
TSHR P16473 2/20 0.36
CYP19A1 P11511 5/20 0.35
CYP3A4 P08684 1/20 0.34
MAPK1 P28482 1/20 0.34
MEN1 O00255 1/20 0.34
RAB9A P51151 1/20 0.34
KMT2A Q03164 1/20 0.34
ALDH3A1 P30838 1/20 0.33
HCAR3 P49019 1/20 0.33
VCAM1 P19320 1/20 0.33
GAA P10253 1/20 0.32
TRPV1 Q8NER1 2/20 0.32
BCHE P06276 1/20 0.32
ACHE P22303 1/20 0.32
MAPT P10636 3/20 0.32
POLB P06746 2/20 0.32
PKM P14618 2/20 0.32
SMN1; SMN2 Q16637 1/20 0.32

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
SCHEMBL22476575 0.92 MAPT (0.38) TDP1ALDH1A1TSHRCYP19A1MEN1
SCHEMBL22476567 0.84 NPSR1 (0.43) TDP1ALDH1A1TSHRCYP3A4MAPK1
SCHEMBL17598651 0.84 TDP1 (0.34) TDP1ALDH1A1TSHRCYP19A1CYP3A4
SCHEMBL9588413 0.77 CYP19A1 (0.37) ALDH1A1TSHRCYP19A1CYP3A4MAPK1
SCHEMBL9588417 0.77 CYP19A1 (0.37) ALDH1A1TSHRCYP19A1CYP3A4MAPK1
SCHEMBL17598694 0.76 MAPT (0.45) ALDH1A1MAPK1MEN1RAB9AKMT2A
SCHEMBL22476563 0.75 LMNA (0.41) ALDH1A1CYP3A4MAPK1MEN1RAB9A
SCHEMBL24405491 0.74 MAPT (0.40) TDP1ALDH1A1TSHRKMT2AGAA
SCHEMBL22476592 0.74 MAPT (0.37) TDP1ALDH1A1TSHRCYP3A4MEN1
SCHEMBL24405345 0.74 MAPT (0.41) TDP1ALDH1A1TSHRMAPK1MEN1

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