SCHEMBL17508316

SCHEMBL17508316

Cc1cc(N)c(N)cc1Nc1cccc(N)c1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAPGEF4 Q8WZA2 1/20 0.57
GAA P10253 4/20 0.53
MAPT P10636 3/20 0.53
TDP1 Q9NUW8 2/20 0.53
KDM4E B2RXH2 2/20 0.53
MEN1 O00255 2/20 0.53
LMNA P02545 2/20 0.53
KMT2A Q03164 2/20 0.53
GFER P55789 1/20 0.53
DDX3X O00571 2/20 0.45
ALDH1A1 P00352 5/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
BLK P51451 1/20 0.40
ALOX15 P16050 1/20 0.40
HTT P42858 1/20 0.40
SYK P43405 1/20 0.39
AHR P35869 1/20 0.39
RAB9A P51151 1/20 0.38
GNG2 P59768 1/20 0.38
GNB1 P62873 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
Hydrochloric Acid SCHEMBL17508234 0.98 RAPGEF4 (0.56) RAPGEF4GAAMAPTTDP1KDM4E
SCHEMBL17506802 0.88 RAPGEF4 (0.56) RAPGEF4GAAMAPTTDP1KDM4E
SCHEMBL17508283 0.81 RAPGEF4 (0.46) RAPGEF4GAAMAPTTDP1KDM4E
SCHEMBL17527014 0.80 RAPGEF4 (0.51) RAPGEF4GAAMAPTTDP1KDM4E
SCHEMBL5082029 0.80 DDX3X (0.62) RAPGEF4GAAMAPTTDP1KDM4E
SCHEMBL16588368 0.79 RAPGEF4 (0.54) RAPGEF4GAAMAPTTDP1KDM4E
SCHEMBL17166901 0.78 RAPGEF4 (0.53) RAPGEF4GAAMAPTTDP1KDM4E
SCHEMBL17508186 0.76 TDP1 (0.60) RAPGEF4GAAMAPTTDP1KDM4E
SCHEMBL2127990 0.76 MAPT (0.86) RAPGEF4GAAMAPTTDP1KDM4E
SCHEMBL7389020 0.76 MAPT (0.67) RAPGEF4GAAMAPTTDP1KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2016020112-A1 OXIDATION DYE PRECURSOR HENKEL AG & CO. KGAA (DE) 2016-02-11 WO claimed
WO-2016020112-A1 OXIDATION DYE PRECURSOR HENKEL AG & CO. KGAA (DE) 2016-02-11 WO disclosed
WO-2016020112-A1 OXIDATION DYE PRECURSOR HENKEL AG & CO. KGAA (DE) 2016-02-11 WO disclosed