SCHEMBL17506802

SCHEMBL17506802

Cc1cc(N)c(Nc2cccc(N)c2)cc1N

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAPGEF4 Q8WZA2 1/20 0.56
GAA P10253 6/20 0.52
MAPT P10636 4/20 0.52
KDM4E B2RXH2 3/20 0.52
TDP1 Q9NUW8 3/20 0.52
MEN1 O00255 2/20 0.52
LMNA P02545 2/20 0.52
KMT2A Q03164 2/20 0.52
GFER P55789 2/20 0.52
DDX3X O00571 2/20 0.44
ALDH1A1 P00352 6/20 0.42
SMN1; SMN2 Q16637 3/20 0.42
CASP1 P29466 2/20 0.39
BLK P51451 1/20 0.39
HPGD P15428 2/20 0.39
HTT P42858 2/20 0.39
CYP3A4 P08684 3/20 0.39
TSHR P16473 1/20 0.39
MAPK1 P28482 1/20 0.39
THRB P10828 2/20 0.39

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
SCHEMBL17508316 0.88 RAPGEF4 (0.57) RAPGEF4GAAMAPTKDM4ETDP1
Hydrochloric Acid SCHEMBL17508234 0.86 RAPGEF4 (0.56) RAPGEF4GAAMAPTKDM4ETDP1
SCHEMBL17527014 0.85 RAPGEF4 (0.51) RAPGEF4GAAMAPTKDM4ETDP1
SCHEMBL17527023 0.83 RAPGEF4 (0.54) RAPGEF4GAAMAPTTDP1MEN1
Hydrochloric Acid SCHEMBL17506804 0.82 RAPGEF4 (0.53) RAPGEF4GAAMAPTTDP1MEN1
SCHEMBL5082029 0.79 DDX3X (0.62) RAPGEF4GAAMAPTKDM4ETDP1
SCHEMBL17508186 0.79 TDP1 (0.60) RAPGEF4GAAMAPTKDM4ETDP1
SCHEMBL17506815 0.79 TDP1 (0.47) GAAMAPTKDM4ETDP1MEN1
SCHEMBL17506786 0.78 GAA (0.59) RAPGEF4GAAMAPTKDM4ETDP1
SCHEMBL17166901 0.77 RAPGEF4 (0.53) RAPGEF4GAAMAPTKDM4ETDP1

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
WO-2016020110-A1 OXY-, THIO- AND AZO- BIS-BENZENE TYPE OXIDATION DYE PRECURSORS HENKEL AG & CO. KGAA (DE) 2016-02-11 WO disclosed
WO-2016020110-A1 OXY-, THIO- AND AZO- BIS-BENZENE TYPE OXIDATION DYE PRECURSORS HENKEL AG & CO. KGAA (DE) 2016-02-11 WO disclosed