SCHEMBL17508186

SCHEMBL17508186

Cc1ccc(Nc2cccc(N)c2)cc1N

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 4/20 0.60
MAPT P10636 3/20 0.60
KDM4E B2RXH2 1/20 0.60
MEN1 O00255 1/20 0.60
LMNA P02545 1/20 0.60
GAA P10253 1/20 0.60
GFER P55789 1/20 0.60
KMT2A Q03164 1/20 0.60
RAPGEF4 Q8WZA2 1/20 0.59
CASP1 P29466 2/20 0.52
ALDH1A1 P00352 5/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
CYP3A4 P08684 4/20 0.43
RECQL P46063 2/20 0.43
THRB P10828 1/20 0.43
ALOX15 P16050 1/20 0.43
HIF1A Q16665 1/20 0.43
DDX3X O00571 2/20 0.43
NPSR1 Q6W5P4 1/20 0.41
BLK P51451 1/20 0.41

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
SCHEMBL17508194 0.86 TDP1 (0.54) TDP1MAPTKDM4EMEN1GAA
SCHEMBL20019377 0.85 NPSR1 (0.60) TDP1MAPTGAARAPGEF4CASP1
SCHEMBL30826545 0.85 ALDH1A1 (0.54) TDP1MAPTKDM4EMEN1LMNA
SCHEMBL9651411 0.85 ALDH1A1 (0.54) TDP1MAPTKDM4EMEN1LMNA
SCHEMBL30826546 0.85 ALDH1A1 (0.54) TDP1MAPTKDM4EMEN1LMNA
SCHEMBL28726059 0.82 CASP1 (0.58) TDP1MAPTKDM4EMEN1LMNA
SCHEMBL17414842 0.82 MAPT (0.67) TDP1MAPTKDM4EMEN1LMNA
SCHEMBL17508260 0.82 RAPGEF4 (0.57) TDP1MAPTMEN1KMT2ARAPGEF4
SCHEMBL17508259 0.82 TDP1 (0.56) TDP1MAPTKDM4EMEN1LMNA
SCHEMBL2127990 0.82 MAPT (0.86) TDP1MAPTKDM4EMEN1LMNA

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 4 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
EP-3173457-A1 LIQUID-CRYSTAL COMPOSITION AND LIQUID-CRYSTAL DISPLAY ELEMENT OBTAINED USING SAME DIC Corporation (JP) 2017-05-31 EP disclosed
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