SCHEMBL30846804

SCHEMBL30846804

N#Cc1ccc(SC2CC2)cc1

nearest known ligand 0.81

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MAOB P27338 11/20 0.81
MAOA P21397 10/20 0.81
DDB1 Q16531 2/20 0.51
CRBN Q96SW2 2/20 0.51
AR P10275 1/20 0.42
CYP2A6 P11509 2/20 0.39
ALDH1A1 P00352 1/20 0.39
CA12 O43570 1/20 0.39
CA2 P00918 1/20 0.39
CA3 P07451 1/20 0.39
CA6 P23280 1/20 0.39
CA9 Q16790 1/20 0.39
CA14 Q9ULX7 1/20 0.39
TSHR P16473 1/20 0.37
HRH3 Q9Y5N1 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
SCHEMBL23295265 0.92 MAOA (0.96) MAOBMAOADDB1CRBNAR
SCHEMBL2578708 0.90 MAOA (1.00) MAOBMAOADDB1CRBNAR
SCHEMBL31061343 0.88 MAOA (0.71) MAOBMAOADDB1CRBNAR
SCHEMBL15231515 0.87 MAOB (0.69) MAOBMAOADDB1CRBNAR
SCHEMBL21887035 0.81 MAOA (0.62) MAOBMAOADDB1CRBNHRH3
SCHEMBL21887036 0.77 MAOA (0.57) MAOBMAOADDB1CRBNHRH3
SCHEMBL2578637 0.75 MAOA (0.62) MAOBMAOADDB1CRBNAR
SCHEMBL21824778 0.73 MAOA (0.51) MAOBMAOADDB1CRBNALDH1A1
SCHEMBL21825012 0.73 MAOA (0.51) MAOBMAOADDB1CRBNALDH1A1
SCHEMBL1746402 0.71 MAOA (0.46) MAOBMAOAALDH1A1HRH3

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-117843633-A Sulfoximine compounds, pharmaceutical compositions and uses thereof 上海海和药物研究开发股份有限公司 2024-04-09 CN disclosed