SCHEMBL28632664

SCHEMBL28632664

Cc1ccc(S(=O)(=O)n2cc(-c3cccc(F)c3Cl)c3cc(Br)ccc32)cc1

nearest known ligand 0.46

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ L3MBTL1 Q9Y468 1/20 0.46
▸ HTR6 P50406 14/20 0.46
▸ CYP3A4 P08684 1/20 0.46
▸ CYP2D6 P10635 1/20 0.46
▸ KLK7 P49862 1/20 0.44
▸ KDM4E B2RXH2 1/20 0.42
▸ UBE2N P61088 1/20 0.42
▸ AKR1C3 P42330 1/20 0.39
▸ AKR1C1 Q04828 1/20 0.39
▸ EED O75530 1/20 0.39
▸ ALK Q9UM73 1/20 0.38

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
SCHEMBL15805350 0.84 PTPN11 (0.40) L3MBTL1CYP3A4EED
SCHEMBL28613040 0.80 PIM1 (0.42) L3MBTL1HTR6CYP3A4KLK7KDM4E
SCHEMBL23589255 0.76 HTR6 (0.55) L3MBTL1HTR6CYP3A4CYP2D6KLK7
SCHEMBL31571431 0.76 HTR6 (0.55) L3MBTL1HTR6CYP3A4CYP2D6KLK7
SCHEMBL28615536 0.75 PIM1 (0.40) L3MBTL1HTR6EEDALK
SCHEMBL19611706 0.74 HTR6 (0.49) L3MBTL1HTR6CYP3A4CYP2D6KLK7
SCHEMBL31369091 0.74 HTR6 (0.46) L3MBTL1HTR6CYP3A4CYP2D6KLK7
SCHEMBL945608 0.74 HTR6 (0.54) L3MBTL1HTR6CYP3A4CYP2D6KLK7
SCHEMBL28513856 0.73 HTR6 (0.43) L3MBTL1HTR6CYP3A4CYP2D6KLK7
SCHEMBL9904636 0.73 L3MBTL1 (0.50) L3MBTL1HTR6CYP3A4CYP2D6KLK7

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-113336751-A High-efficiency salt-induced kinase inhibitor and preparation method thereof 南京谷睿生物科技有限公司 2021-09-03 — — CN disclosed
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