SCHEMBL10035266

SCHEMBL10035266

COc1cc(NC(=O)c2ccc(-c3ccccc3N(C)C)cc2)ccc1S(N)(=O)=O

nearest known ligand 0.56

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ MCHR1 Q99705 4/20 0.49
▸ KLK7 P49862 2/20 0.48
▸ USP2 O75604 1/20 0.47
▸ STAT3 P40763 1/20 0.46
▸ POLB P06746 1/20 0.46
▸ MAPT P10636 1/20 0.46
▸ HTR2C P28335 1/20 0.46
▸ PLAU P00749 1/20 0.45
▸ PLAT P00750 1/20 0.45
▸ F10 P00742 1/20 0.45
▸ CYP19A1 P11511 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
SCHEMBL10035051 0.85 MCHR1 (0.49) MCHR1KLK7STAT3POLBMAPT
SCHEMBL10035032 0.85 MAPT (0.49) MCHR1KLK7STAT3POLBMAPT
SCHEMBL10035061 0.83 F10 (0.47) MCHR1KLK7STAT3POLBMAPT
SCHEMBL10035033 0.82 NPC1 (0.47) MCHR1KLK7STAT3POLBMAPT
SCHEMBL10034973 0.79 STAT3 (0.46) MCHR1KLK7STAT3POLBMAPT
SCHEMBL10035265 0.79 HTR1D (0.52) MCHR1KLK7STAT3MAPTHTR2C
SCHEMBL10035001 0.78 STAT3 (0.55) KLK7USP2STAT3MAPT
SCHEMBL10035062 0.78 ABCB1 (0.55) KLK7USP2STAT3POLBMAPT
SCHEMBL10034987 0.77 F10 (0.49) STAT3POLBMAPTF10
SCHEMBL14914055 0.77 POLB (0.49) MCHR1KLK7STAT3POLBMAPT

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
WO-2012008435-A1 BIARYL AMIDE DERIVATIVE OR PHARMACEUTICALLY ACCEPTABLE SALT THEREOF 大日本住友製薬株式会社 (JP) 2012-01-19 — — WO disclosed
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