SCHEMBL6819447

SCHEMBL6819447

CCOc1cccc(CN)c1O

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.46
IDO1 P14902 1/20 0.45
MAPT P10636 4/20 0.44
L3MBTL1 Q9Y468 4/20 0.44
NPSR1 Q6W5P4 2/20 0.44
MEN1 O00255 3/20 0.44
KMT2A Q03164 3/20 0.44
GAA P10253 2/20 0.44
ATM Q13315 2/20 0.44
THRB P10828 1/20 0.44
RECQL P46063 1/20 0.44
BLM P54132 1/20 0.44
PLEC Q15149 1/20 0.44
TDP1 Q9NUW8 1/20 0.44
TSHR P16473 1/20 0.44
ALOX5 P09917 1/20 0.44
PTGS2 P35354 1/20 0.44
HSD17B10 Q99714 2/20 0.42
LMNA P02545 1/20 0.42
XBP1 P17861 1/20 0.42

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
SCHEMBL257089 0.85 GABRA1 (0.61) ALDH1A1IDO1MAPTL3MBTL1NPSR1
SCHEMBL30940116 0.83 ALDH1A1 (0.46) ALDH1A1IDO1MAPTL3MBTL1NPSR1
SCHEMBL9825698 0.82 ALDH1A1 (0.52) ALDH1A1MAPTL3MBTL1NPSR1MEN1
SCHEMBL674008 0.82 ALDH1A1 (0.52) ALDH1A1MAPTL3MBTL1NPSR1MEN1
SCHEMBL11387620 0.81 ALOX5 (0.56) ALDH1A1IDO1MAPTL3MBTL1NPSR1
SCHEMBL11723222 0.81 MAPT (0.44) ALDH1A1IDO1MAPTL3MBTL1NPSR1
SCHEMBL29500198 0.81 IDO1 (0.66) ALDH1A1IDO1MAPTNPSR1MEN1
SCHEMBL622754 0.81 IDO1 (0.66) ALDH1A1IDO1MAPTNPSR1MEN1
SCHEMBL31195759 0.80 L3MBTL1 (0.60) ALDH1A1MAPTL3MBTL1NPSR1MEN1
SCHEMBL469001 0.80 L3MBTL1 (0.60) ALDH1A1MAPTL3MBTL1NPSR1MEN1

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-2009041919-A1 TITANIUM COMPOUND AND PROCESS FOR ASYMMETRIC CYANATION OF IMINES AGENCY FOR SCIENCE, TECHNOLOGY AND RESEARCH (SG) 2009-04-02 WO disclosed
WO-2008121076-A1 TITANIUM COMPOUND AND PROCESS FOR ASYMMETRIC CYANATION OF IMINES AGENCY FOR SCIENCE, TECHNOLOGY AND RESEARCH (SG) 2008-10-09 WO disclosed
WO-2004067518-A1 SUBSTITUTED PYRIMIDINES BAYER CROPSCIENCE AKTIENGESELLSCHAFT (DE) 2004-08-12 WO disclosed