SCHEMBL30901409

SCHEMBL30901409

COc1ccc(S(=O)(=O)c2ccc(C)cc2)c(-c2ccccc2C(N)=O)c1Br

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.40
MMP2 P08253 3/20 0.40
MMP9 P14780 3/20 0.40
MMP8 P22894 3/20 0.40
MMP12 P39900 3/20 0.40
MMP13 P45452 3/20 0.40
MMP14 P50281 3/20 0.40
MMP16 P51512 3/20 0.40
MAPT P10636 3/20 0.39
MEN1 O00255 2/20 0.39
HTT P42858 2/20 0.39
KMT2A Q03164 2/20 0.39
ALDH1A1 P00352 2/20 0.39
NPSR1 Q6W5P4 1/20 0.39
SMN1; SMN2 Q16637 2/20 0.38
TSHR P16473 1/20 0.38
PKM P14618 1/20 0.38
MMP3 P08254 2/20 0.38
MMP1 P03956 1/20 0.38
HTR6 P50406 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
SCHEMBL30901415 0.76 L3MBTL1 (0.44) L3MBTL1MMP2MMP9MMP8MMP12
SCHEMBL30901416 0.74 POLB (0.43) L3MBTL1MEN1KMT2APARP1KEAP1
SCHEMBL5331978 0.73 HTR2A (0.51) L3MBTL1MMP2MMP9MMP8MMP12
SCHEMBL528360 0.72 HTT (0.48) L3MBTL1MAPTMEN1HTTKMT2A
SCHEMBL29210111 0.70 RAB9A (0.47) MAPTMEN1KMT2AALDH1A1SMN1; SMN2
SCHEMBL4723909 0.68 MAPK1 (0.56) MEN1KMT2AALDH1A1SMN1; SMN2TSHR
SCHEMBL527995 0.68 PARP1 (0.56) L3MBTL1HTTALDH1A1SMN1; SMN2PARP1
SCHEMBL27950988 0.67 GAA (0.48) MAPTHTTALDH1A1SMN1; SMN2TSHR
SCHEMBL28541778 0.67 HTR6 (0.77) MAPTHTTKMT2AALDH1A1NPSR1
SCHEMBL6522697 0.67 GAA (0.52) L3MBTL1MAPTMEN1HTTKMT2A

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-117820175-A Synthesis method of o-amino aryl sulfoxide compound 山东大学 2024-04-05 CN disclosed