SCHEMBL30401975

SCHEMBL30401975

COc1ccc(CNc2nccc3c(C(=O)O)cccc23)c(OC)c1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.63
KDM4C Q9H3R0 1/20 0.57
AURKA O14965 2/20 0.53
RPS6KB1 P23443 2/20 0.53
CYP1A2 P05177 13/20 0.51
CYP3A4 P08684 13/20 0.51
CYP2C19 P33261 13/20 0.51
CYP2D6 P10635 11/20 0.51
TSHR P16473 10/20 0.51
CYP2C9 P11712 9/20 0.51
HSD17B10 Q99714 8/20 0.51
CLK4 Q9HAZ1 7/20 0.51
ALDH1A1 P00352 6/20 0.51
USP2 O75604 4/20 0.51
ALOX15 P16050 2/20 0.51
MEN1 O00255 2/20 0.51
KMT2A Q03164 2/20 0.51
SMN1; SMN2 Q16637 2/20 0.49
KDM4E B2RXH2 2/20 0.49
HIF1A Q16665 2/20 0.49

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
SCHEMBL24399727 1.00 MAPT (0.63) MAPTKDM4CAURKARPS6KB1CYP1A2
SCHEMBL25377229 0.92 MAPT (0.66) MAPTKDM4CAURKARPS6KB1CYP1A2
SCHEMBL30401701 0.84 AURKA (0.71) MAPTKDM4CAURKARPS6KB1CYP1A2
SCHEMBL1461787 0.84 AURKA (0.71) MAPTKDM4CAURKARPS6KB1CYP1A2
SCHEMBL24493067 0.83 CYP1A2 (0.54) MAPTCYP1A2CYP3A4CYP2C19CYP2D6
SCHEMBL24493287 0.83 CYP1A2 (0.54) MAPTCYP1A2CYP3A4CYP2C19CYP2D6
SCHEMBL29650033 0.83 CYP1A2 (0.54) MAPTCYP1A2CYP3A4CYP2C19CYP2D6
SCHEMBL29650007 0.83 CYP1A2 (0.54) MAPTCYP1A2CYP3A4CYP2C19CYP2D6
SCHEMBL30799771 0.82 CYP1A2 (0.53) MAPTCYP1A2CYP3A4CYP2C19CYP2D6
SCHEMBL26967125 0.79 MAPT (0.49) MAPTKDM4CAURKARPS6KB1CYP1A2

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-116096718-A Aryl amide compound, pharmaceutical composition containing same, preparation method and application thereof 四川科伦博泰生物医药股份有限公司 2023-05-09 CN disclosed