SCHEMBL22476596

SCHEMBL22476596

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

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.40
NPSR1 Q6W5P4 2/20 0.40
KMT2A Q03164 3/20 0.37
ALDH1A1 P00352 6/20 0.36
SMN1; SMN2 Q16637 3/20 0.36
POLB P06746 2/20 0.36
LMNA P02545 2/20 0.36
GALR2 O43603 1/20 0.36
MITF O75030 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
TSHR P16473 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
GAA P10253 1/20 0.34
HTT P42858 2/20 0.32
PKM P14618 1/20 0.32
MEN1 O00255 1/20 0.32
KDM4E B2RXH2 1/20 0.31

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 0.92 MAPT (0.41) MAPTNPSR1KMT2AALDH1A1SMN1; SMN2
SCHEMBL24405491 0.90 MAPT (0.40) MAPTNPSR1KMT2AALDH1A1SMN1; SMN2
SCHEMBL22476567 0.89 NPSR1 (0.43) MAPTNPSR1KMT2AALDH1A1SMN1; SMN2
SCHEMBL24405345 0.88 MAPT (0.41) MAPTNPSR1KMT2AALDH1A1SMN1; SMN2
SCHEMBL17598694 0.86 MAPT (0.45) MAPTNPSR1KMT2AALDH1A1SMN1; SMN2
SCHEMBL22474150 0.86 NPSR1 (0.37) MAPTNPSR1KMT2AALDH1A1SMN1; SMN2
SCHEMBL24405206 0.84 KMT2A (0.43) MAPTNPSR1KMT2AALDH1A1SMN1; SMN2
SCHEMBL24405467 0.84 SMN1; SMN2 (0.36) MAPTNPSR1KMT2AALDH1A1SMN1; SMN2
SCHEMBL24405204 0.84 MAPT (0.39) MAPTNPSR1KMT2AALDH1A1SMN1; SMN2
SCHEMBL22476570 0.83 MAPT (0.40) MAPTNPSR1KMT2AALDH1A1SMN1; 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