SCHEMBL17508259

SCHEMBL17508259

Cc1ccc(Nc2cccc(N)c2)cc1O

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 2/20 0.56
KDM4E B2RXH2 1/20 0.56
MEN1 O00255 1/20 0.56
LMNA P02545 1/20 0.56
GAA P10253 1/20 0.56
MAPT P10636 1/20 0.56
GFER P55789 1/20 0.56
KMT2A Q03164 1/20 0.56
RAPGEF4 Q8WZA2 1/20 0.56
TSHR P16473 1/20 0.55
CASP1 P29466 1/20 0.55
ALDH1A1 P00352 3/20 0.46
SMN1; SMN2 Q16637 1/20 0.45
KDR P35968 6/20 0.45
EGFR P00533 5/20 0.45
CYP3A4 P08684 1/20 0.45
THRB P10828 1/20 0.45
ALOX15 P16050 1/20 0.45
RECQL P46063 1/20 0.45
HIF1A Q16665 1/20 0.45

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
SCHEMBL565035 0.82 MAPT (0.60) TDP1KDM4EMEN1LMNAGAA
SCHEMBL17508186 0.82 TDP1 (0.60) TDP1KDM4EMEN1LMNAGAA
SCHEMBL7555415 0.82 HPGD (0.54) TDP1MEN1LMNAGAAMAPT
SCHEMBL17508325 0.80 ALDH1A1 (0.53) TDP1MEN1GAAMAPTKMT2A
SCHEMBL2127990 0.79 MAPT (0.86) TDP1KDM4EMEN1LMNAGAA
SCHEMBL564967 0.79 MAPT (0.60) TDP1KDM4EMEN1LMNAGAA
SCHEMBL5085059 0.78 MAPT (0.70) TDP1KDM4EMEN1LMNAGAA
SCHEMBL9645581 0.78 CASP1 (0.58) TDP1KDM4EMEN1GAAMAPT
SCHEMBL6557093 0.78 CASP1 (0.49) TDP1MEN1LMNAGAAMAPT
Hydrochloric Acid SCHEMBL21647359 0.77 MAPT (0.82) TDP1KDM4EMEN1LMNAGAA

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