SCHEMBL27720429

SCHEMBL27720429

COc1cc(N)cc(OC)c1C(C)C=O

nearest known ligand 0.37

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.37
GAA P10253 3/20 0.37
MAPT P10636 2/20 0.37
KDM4E B2RXH2 2/20 0.37
TSHR P16473 4/20 0.36
HTT P42858 2/20 0.36
MAPK1 P28482 1/20 0.36
TDP1 Q9NUW8 2/20 0.35
CYP19A1 P11511 2/20 0.33
POLB P06746 2/20 0.33
GFER P55789 1/20 0.33
TAAR1 Q96RJ0 1/20 0.33
NQO2 P16083 1/20 0.33
NR4A1 P22736 1/20 0.33
PRKDC P78527 1/20 0.32
HTR2A P28223 1/20 0.32
CYP3A4 P08684 1/20 0.31
HSD17B10 Q99714 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31

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
SCHEMBL3917410 0.77 GAA (0.42) ALDH1A1GAAMAPTKDM4ETSHR
SCHEMBL27720428 0.73 ALDH1A1 (0.44) ALDH1A1GAAMAPTKDM4ETSHR
SCHEMBL12337997 0.72
SCHEMBL13711879 0.71 ERN1 (0.50) ALDH1A1GAAMAPTKDM4ETSHR
SCHEMBL28240438 0.68 ERN1 (0.37) ALDH1A1GAAMAPTHTTHTR2A
SCHEMBL15869703 0.68 GAA (0.48) ALDH1A1GAAKDM4ETSHRHTT
SCHEMBL11963636 0.67 MAPT (0.47) ALDH1A1GAAMAPTKDM4EHTT
SCHEMBL4631891 0.67 GAA (0.42) ALDH1A1GAAMAPTKDM4ETSHR
SCHEMBL2783924 0.67 MAPT (0.47) ALDH1A1GAAMAPTKDM4EHTT
SCHEMBL11963646 0.67 MAPT (0.47) ALDH1A1GAAMAPTKDM4EHTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-110141570-A Medical compounds 西雅图遗传学公司 2019-08-20 CN disclosed
CN-110143950-A Medical compounds 西雅图遗传学公司 2019-08-20 CN disclosed
CN-106170288-B Pharmaceutical compounds 西雅图遗传学公司 2019-07-19 CN disclosed
CN-106170288-A Pharmaceutical compounds 卡斯卡迪安疗法公司 2016-11-30 CN disclosed
CN-101296907-B Diaminopyrimidines as P2X3 and P2X2/3 modulators HOFFMANN LA ROCHE 2013-03-27 CN disclosed
CN-101296907-A Diaminopyrimidines as P2X3 and P2X2/3 modulators ROCHE PALO ALTO LLC (CH) 2008-10-29 CN disclosed