SCHEMBL22476563

SCHEMBL22476563

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

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 7/20 0.41
MAPT P10636 7/20 0.41
ALDH1A1 P00352 6/20 0.41
SMN1; SMN2 Q16637 6/20 0.41
KMT2A Q03164 4/20 0.41
HTT P42858 3/20 0.41
MEN1 O00255 3/20 0.41
L3MBTL1 Q9Y468 3/20 0.41
POLB P06746 2/20 0.41
HPGD P15428 1/20 0.41
RECQL P46063 3/20 0.36
NPSR1 Q6W5P4 2/20 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
GFER P55789 1/20 0.35
HCAR3 P49019 1/20 0.34
NPC1 O15118 2/20 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 0.91 MAPT (0.45) LMNAMAPTALDH1A1SMN1; SMN2KMT2A
SCHEMBL22476592 0.89 MAPT (0.37) LMNAMAPTALDH1A1SMN1; SMN2KMT2A
SCHEMBL22476567 0.83 NPSR1 (0.43) LMNAMAPTALDH1A1SMN1; SMN2KMT2A
SCHEMBL22476570 0.83 MAPT (0.40) LMNAMAPTALDH1A1SMN1; SMN2KMT2A
SCHEMBL22476575 0.82 MAPT (0.38) LMNAMAPTALDH1A1SMN1; SMN2KMT2A
SCHEMBL22474168 0.82 MAPT (0.41) LMNAMAPTALDH1A1SMN1; SMN2KMT2A
SCHEMBL24405460 0.82 ALDH1A1 (0.39) LMNAMAPTALDH1A1SMN1; SMN2KMT2A
SCHEMBL24405362 0.81 MAPT (0.39) LMNAMAPTALDH1A1SMN1; SMN2KMT2A
SCHEMBL24405277 0.79 MAPT (0.47) LMNAMAPTALDH1A1SMN1; SMN2KMT2A
SCHEMBL24405206 0.79 KMT2A (0.43) LMNAMAPTALDH1A1SMN1; SMN2KMT2A

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