SCHEMBL29139800

SCHEMBL29139800

COc1ccc(C(c2ccc(N(C)C)cc2)c2cc(Cl)ccc2O)cc1OC

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.46
MGAM O43451 2/20 0.44
SLC2A1 P11166 1/20 0.41
NQO2 P16083 1/20 0.41
ALOX15 P16050 2/20 0.39
HSD17B10 Q99714 1/20 0.39
MEN1 O00255 3/20 0.38
KMT2A Q03164 3/20 0.38
TDP1 Q9NUW8 3/20 0.38
L3MBTL1 Q9Y468 2/20 0.38
KDM4E B2RXH2 1/20 0.38
ALDH1A1 P00352 1/20 0.38
GAA P10253 1/20 0.38
HPGD P15428 1/20 0.38
MMP9 P14780 1/20 0.38
AR P10275 1/20 0.38
MAPK1 P28482 2/20 0.37
NPC1 O15118 1/20 0.37
CRHBP P24387 1/20 0.36
CRHR2 Q13324 1/20 0.36

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
SCHEMBL30327131 0.86 SLC2A1 (0.59) MAPTSLC2A1MEN1KMT2ATDP1
SCHEMBL29139801 0.84 SLC2A1 (0.44) MAPTSLC2A1NQO2ALOX15HSD17B10
SCHEMBL9658187 0.80 SLC2A1 (0.62) MAPTSLC2A1NQO2ALOX15HSD17B10
SCHEMBL30327011 0.79 MEN1 (0.39) MAPTSLC2A1MEN1KMT2ATDP1
SCHEMBL6558728 0.72 ALDH1A1 (0.43) MAPTSLC2A1ALOX15HSD17B10MEN1
SCHEMBL30326952 0.72 POLB (0.41) MAPTSLC2A1ALOX15HSD17B10MEN1
SCHEMBL30327120 0.71 LMNA (0.40) MAPTSLC2A1MEN1KMT2ATDP1
SCHEMBL31516847 0.70 TSHR (0.59) MEN1KMT2AALDH1A1GAA
SCHEMBL6558665 0.70 KMT2A (0.50) MAPTSLC2A1ALOX15HSD17B10MEN1
SCHEMBL9559182 0.70 SLC2A1 (0.61) MAPTSLC2A1NQO2ALOX15HSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-111484419-B Method for synthesizing triarylmethane derivative 天津师范大学 2023-03-31 CN disclosed