SCHEMBL31543437

SCHEMBL31543437

Cc1ccc(S(=O)(=O)n2cc(C3CC3)c3cnc(CC(N)=O)cc32)cc1

nearest known ligand 0.43

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ HTR6 P50406 9/20 0.43
▸ HTR1A P08908 1/20 0.41
▸ PDE4A P27815 2/20 0.40
▸ PDE4B Q07343 2/20 0.40
▸ PDE4C Q08493 2/20 0.40
▸ PDE4D Q08499 2/20 0.40
▸ KLK7 P49862 6/20 0.39
▸ DRD2 P14416 1/20 0.38
▸ KDM1A O60341 1/20 0.38
▸ PTGDR2 Q9Y5Y4 1/20 0.37
▸ ALOX5 P09917 1/20 0.37
▸ PTGS2 P35354 1/20 0.37
▸ HTR1D P28221 1/20 0.36
▸ HTR1B P28222 1/20 0.36
▸ DRD3 P35462 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
SCHEMBL31543235 0.80 HTR6 (0.48) HTR6HTR1APDE4APDE4BPDE4C
SCHEMBL31543365 0.79 TYK2 (0.46) HTR6HTR1APDE4APDE4BPDE4C
SCHEMBL16610233 0.74 HTR6 (0.53) HTR6HTR1AKLK7
SCHEMBL18080762 0.72 HTR6 (0.49) HTR6HTR1AKLK7DRD2
SCHEMBL16610232 0.71 SCN9A (0.44) HTR6
SCHEMBL30974647 0.70 HTR6 (0.54) HTR6KLK7
SCHEMBL31543327 0.69 TTBK1 (0.34) —
Hydrochloric Acid SCHEMBL26911957 0.67 HTR6 (0.57) HTR6HTR1AKLK7
SCHEMBL31543380 0.67 TTBK1 (0.49) —
SCHEMBL30372719 0.67 HTR6 (0.49) HTR6KLK7ALOX5

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-119654322-A TYK2 inhibitors 渤健马萨诸塞州股份有限公司 2025-03-18 — — CN disclosed
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