SCHEMBL22474147

SCHEMBL22474147

CCN(CC(=O)OC)c1cc(NC(C)=O)c(/N=N/c2cc(F)c([N+](=O)[O-])cc2[N+](=O)[O-])cc1OC

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 8/20 0.35
NPSR1 Q6W5P4 3/20 0.35
CYP1A2 P05177 1/20 0.35
CYP3A4 P08684 1/20 0.35
CYP2D6 P10635 1/20 0.35
CYP2C9 P11712 1/20 0.35
CYP2C19 P33261 1/20 0.35
RECQL P46063 1/20 0.35
LMNA P02545 4/20 0.34
POLB P06746 4/20 0.34
GALR2 O43603 1/20 0.34
MITF O75030 1/20 0.34
HSP90AA1 P07900 1/20 0.34
HPGD P15428 1/20 0.34
XBP1 P17861 1/20 0.34
CCR6 P51684 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
KMT2A Q03164 5/20 0.33
MAPT P10636 4/20 0.33
MEN1 O00255 2/20 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
SCHEMBL22474174 0.96 ALDH1A1 (0.35) ALDH1A1NPSR1LMNAPOLBGALR2
SCHEMBL22474142 0.94 ALDH1A1 (0.37) ALDH1A1NPSR1CYP1A2CYP3A4CYP2D6
SCHEMBL22474171 0.92 ALDH1A1 (0.34) ALDH1A1NPSR1CYP1A2CYP3A4CYP2D6
SCHEMBL24405249 0.91 ALDH1A1 (0.40) ALDH1A1NPSR1RECQLLMNAPOLB
SCHEMBL24405343 0.90 MAPT (0.35) ALDH1A1NPSR1LMNAPOLBGALR2
SCHEMBL22476552 0.89 HCAR3 (0.36) ALDH1A1NPSR1LMNAPOLBGALR2
SCHEMBL24405276 0.88 ALDH1A1 (0.38) ALDH1A1NPSR1CYP1A2CYP3A4CYP2D6
SCHEMBL22476622 0.88 ALDH1A1 (0.34) ALDH1A1NPSR1CYP1A2CYP3A4CYP2D6
SCHEMBL24405251 0.87 ALDH1A1 (0.40) ALDH1A1NPSR1CYP1A2CYP3A4CYP2D6
SCHEMBL24405218 0.87 ALDH1A1 (0.37) ALDH1A1NPSR1CYP1A2CYP3A4CYP2D6

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-3715424-A1 HIGH WET FAST DISPERSE DYE MIXTURES OF N-[4-(5-THIOCYANATO-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