SCHEMBL24405403

SCHEMBL24405403

C=C(C)Nc1cc(N(CC)CC)ccc1N

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
S100B P04271 1/20 0.51
MAPT P10636 9/20 0.42
ALDH1A1 P00352 8/20 0.42
HTT P42858 5/20 0.42
MAPK1 P28482 4/20 0.42
GAA P10253 4/20 0.42
KDM4E B2RXH2 3/20 0.42
THRB P10828 1/20 0.42
TSHR P16473 3/20 0.42
CYP3A4 P08684 2/20 0.42
GFER P55789 2/20 0.42
PSMD14 O00487 1/20 0.42
RECQL P46063 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
MEN1 O00255 4/20 0.38
KMT2A Q03164 4/20 0.38
NOX1 Q9Y5S8 3/20 0.38
MCL1 Q07820 2/20 0.38
POLB P06746 1/20 0.38

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
SCHEMBL24405348 0.86 S100B (0.38) S100BMAPTALDH1A1HTTMAPK1
SCHEMBL22212937 0.85 KDM4E (0.36) S100BMAPTALDH1A1GAAKDM4E
SCHEMBL6075087 0.84 S100B (0.51) S100BMAPTALDH1A1HTTMAPK1
SCHEMBL21322422 0.80 S100B (0.46) S100BMAPTALDH1A1HTTMAPK1
SCHEMBL19980882 0.79 HDAC3 (0.32) S100BHDAC1
SCHEMBL9196488 0.79 MAPT (0.60) S100BMAPTALDH1A1HTTMAPK1
SCHEMBL21927048 0.78 MAPT (0.48) S100BMAPTALDH1A1HTTMAPK1
SCHEMBL11431006 0.77 S100B (0.58) S100BMAPTALDH1A1HTTMAPK1
SCHEMBL10596876 0.76 ALDH1A1 (0.45) S100BMAPTALDH1A1HTTMAPK1
SCHEMBL18951543 0.74 HDAC1 (0.44) S100BMAPTALDH1A1HTTMAPK1

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-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