SCHEMBL22476570

SCHEMBL22476570

CCN(CC(=O)OC)c1ccc(/N=N/c2cc(F)c([N+](=O)[O-])cc2[N+](=O)[O-])c(NC(C)=O)c1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.40
NPSR1 Q6W5P4 3/20 0.40
KMT2A Q03164 4/20 0.37
ALDH1A1 P00352 8/20 0.36
CYP1A2 P05177 1/20 0.36
CYP3A4 P08684 1/20 0.36
CYP2D6 P10635 1/20 0.36
CYP2C9 P11712 1/20 0.36
CYP2C19 P33261 1/20 0.36
RECQL P46063 1/20 0.36
POLB P06746 4/20 0.36
SMN1; SMN2 Q16637 4/20 0.36
LMNA P02545 2/20 0.36
HPGD P15428 2/20 0.36
GALR2 O43603 1/20 0.36
MITF O75030 1/20 0.36
HSP90AA1 P07900 1/20 0.36
XBP1 P17861 1/20 0.36
CCR6 P51684 1/20 0.36
GAA P10253 1/20 0.36

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
SCHEMBL24405265 0.92 MAPT (0.38) MAPTNPSR1KMT2AALDH1A1CYP1A2
SCHEMBL17598694 0.92 MAPT (0.45) MAPTNPSR1KMT2AALDH1A1RECQL
SCHEMBL24405206 0.89 KMT2A (0.43) MAPTNPSR1KMT2AALDH1A1RECQL
SCHEMBL24405345 0.89 MAPT (0.41) MAPTNPSR1KMT2AALDH1A1POLB
SCHEMBL22476572 0.86 ALDH1A1 (0.38) MAPTNPSR1KMT2AALDH1A1CYP1A2
SCHEMBL22476567 0.86 NPSR1 (0.43) MAPTNPSR1KMT2AALDH1A1CYP3A4
SCHEMBL22474173 0.85 MAPT (0.41) MAPTNPSR1KMT2AALDH1A1POLB
SCHEMBL22474147 0.85 ALDH1A1 (0.35) MAPTNPSR1KMT2AALDH1A1CYP1A2
SCHEMBL22474168 0.85 MAPT (0.41) MAPTNPSR1KMT2AALDH1A1POLB
SCHEMBL24405362 0.84 MAPT (0.39) MAPTNPSR1KMT2AALDH1A1POLB

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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