SCHEMBL28952988

SCHEMBL28952988

Nc1ccc2c(cc(I)n2S(=O)(=O)c2ccccc2)c1Br

nearest known ligand 0.41

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ HTR6 P50406 11/20 0.41
▸ SRC P12931 2/20 0.41
▸ CXCL8 P10145 1/20 0.40
▸ NOD1 Q9Y239 1/20 0.40
▸ PTGDR Q13258 1/20 0.36
▸ PTGDR2 Q9Y5Y4 1/20 0.36
▸ MEN1 O00255 1/20 0.35
▸ MAPT P10636 1/20 0.35
▸ KMT2A Q03164 1/20 0.35
▸ SMN1; SMN2 Q16637 1/20 0.35
▸ CA12 O43570 1/20 0.35
▸ CA2 P00918 1/20 0.35
▸ CA9 Q16790 1/20 0.35
▸ BRD4 O60885 1/20 0.34
▸ ALDH1A1 P00352 1/20 0.34
▸ THRB P10828 1/20 0.34

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
SCHEMBL23144383 0.82 HTR6 (0.48) HTR6SRCCXCL8NOD1MEN1
SCHEMBL29208197 0.81 SRC (0.39) HTR6SRCPTGDRPTGDR2
SCHEMBL31304851 0.79 HTR6 (0.44) HTR6SRCCXCL8NOD1CA12
SCHEMBL17422770 0.73 HTR6 (0.42) HTR6SRCCXCL8NOD1MEN1
SCHEMBL28952979 0.73 CXCL8 (0.46) HTR6SRCCXCL8NOD1MEN1
SCHEMBL19268777 0.73 SRC (0.44) HTR6SRCCXCL8NOD1PTGDR
SCHEMBL30259600 0.72 SRC (0.37) HTR6SRCPTGDRPTGDR2
SCHEMBL28952976 0.72 SRC (0.37) HTR6SRCPTGDRPTGDR2
SCHEMBL2088346 0.71 MTNR1B (0.45) HTR6SRCNOD1MEN1MAPT
SCHEMBL17422830 0.70 LMNA (0.42) HTR6SRCCXCL8NOD1MEN1

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-115677722-A Compounds targeting p53 mutants 北京加科思新药研发有限公司 2023-02-03 — — CN disclosed
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