SCHEMBL31512541

SCHEMBL31512541

COc1c(C(N)=O)cn(S(=O)(=O)c2cccc(F)c2)c1-c1ccc(F)cc1F

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HTR6 P50406 5/20 0.39
▸ DRD2 P14416 1/20 0.39
▸ MEN1 O00255 1/20 0.39
▸ GFER P55789 1/20 0.39
▸ KMT2A Q03164 1/20 0.39
▸ HTR2A P28223 2/20 0.38
▸ HSP90AA1 P07900 1/20 0.36
▸ SMN1; SMN2 Q16637 1/20 0.36
▸ ALDH1A1 P00352 1/20 0.35
▸ MAPK14 Q16539 2/20 0.35
▸ PRKD3 O94806 1/20 0.35
▸ MAPK9 P45984 1/20 0.35
▸ MAPKAPK2 P49137 1/20 0.35
▸ MAPK10 P53779 1/20 0.35
▸ ROCK1 Q13464 1/20 0.35
▸ ACVR2B Q13705 1/20 0.35
▸ MYLK Q15746 1/20 0.35
▸ MAPK11 Q15759 1/20 0.35
▸ PRKD2 Q9BZL6 1/20 0.35
▸ NLK Q9UBE8 1/20 0.35

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
SCHEMBL19385605 0.90 MEN1 (0.42) HTR6DRD2MEN1GFERKMT2A
SCHEMBL30963571 0.90 MEN1 (0.42) HTR6DRD2MEN1GFERKMT2A
SCHEMBL23677756 0.88 HTR6 (0.42) HTR6DRD2MEN1GFERKMT2A
SCHEMBL31512568 0.84 MEN1 (0.43) HTR6DRD2MEN1GFERKMT2A
SCHEMBL28566174 0.82 HTR6 (0.41) HTR6DRD2MEN1GFERKMT2A
SCHEMBL23658928 0.82 HTR6 (0.42) HTR6DRD2MEN1GFERKMT2A
SCHEMBL19385625 0.81 MEN1 (0.40) HTR6DRD2MEN1GFERKMT2A
SCHEMBL30963578 0.81 MEN1 (0.40) HTR6DRD2MEN1GFERKMT2A
SCHEMBL23677771 0.80 MEN1 (0.39) HTR6DRD2MEN1GFERKMT2A
Phosphoric Acid SCHEMBL30839224 0.79 KMT2A (0.37) HTR6DRD2MEN1GFERKMT2A

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-119504552-A Potassium ion competitive retarder intermediate and preparation method thereof 菏泽皓元医药科技有限公司 2025-02-25 — — CN disclosed
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