SCHEMBL28414626

SCHEMBL28414626

O=S(=O)(Cc1cccs1)c1ccc(C(F)(F)F)cc1

nearest known ligand 0.51

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 1/20 0.44
▸ KMT2A Q03164 1/20 0.44
▸ HSD11B1 P28845 2/20 0.43
▸ MMP1 P03956 1/20 0.43
▸ MAPT P10636 2/20 0.43
▸ ALDH1A1 P00352 2/20 0.43
▸ KIF11 P52732 1/20 0.41
▸ PKM P14618 1/20 0.41
▸ NPSR1 Q6W5P4 1/20 0.41
▸ SCN3A Q9NY46 1/20 0.41
▸ SMN1; SMN2 Q16637 1/20 0.40
▸ CYP19A1 P11511 1/20 0.40
▸ TRPM8 Q7Z2W7 1/20 0.40
▸ PTGS2 P35354 3/20 0.39

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
SCHEMBL7381563 0.80 ALDH1A1 (0.56) MEN1KMT2AMAPTALDH1A1SMN1; SMN2
SCHEMBL6393544 0.79 ALDH1A1 (0.40) MEN1KMT2AMAPTALDH1A1PKM
SCHEMBL9271675 0.77 ALDH1A1 (0.45) MEN1KMT2AMAPTALDH1A1SMN1; SMN2
SCHEMBL28165245 0.77 PSIP1 (0.51) MEN1KMT2AMAPTALDH1A1SMN1; SMN2
SCHEMBL28467941 0.75 TSHR (0.57) KMT2AHSD11B1MMP1MAPTALDH1A1
SCHEMBL29827532 0.73 HSD11B1 (0.43) KMT2AHSD11B1MMP1KIF11SCN3A
SCHEMBL28293662 0.71 HSD11B1 (0.58) MEN1KMT2AHSD11B1MMP1MAPT
SCHEMBL12013127 0.71 RORC (0.54) HSD11B1MMP1KIF11CYP19A1PTGS2
SCHEMBL27552713 0.70 TAAR1 (0.46) MEN1KMT2AMAPTALDH1A1SMN1; SMN2
SCHEMBL6076332 0.70 LTA4H (0.44) MEN1KMT2AMAPTNPSR1TRPM8

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-111233600-B Synthetic method of aryl (chalcogen heteroaryl) methyl sulfone 成都理工大学 2022-08-05 — — CN disclosed
CN-111233600-A Synthetic method of aryl (chalcogen heteroaryl) methyl sulfone 成都理工大学 2020-06-05 — — CN disclosed
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