SCHEMBL29414795

SCHEMBL29414795

Cc1ccc(S(=O)(=O)n2cc(CC3CC3)c3ccccc32)cc1

nearest known ligand 0.72

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ HTR6 P50406 16/20 0.72
▸ ALK Q9UM73 1/20 0.60
▸ KDM4E B2RXH2 1/20 0.59
▸ UBE2N P61088 1/20 0.59
▸ CYP19A1 P11511 1/20 0.58
▸ L3MBTL1 Q9Y468 1/20 0.57

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
SCHEMBL946516 0.84 HTR6 (0.74) HTR6ALKKDM4EUBE2NCYP19A1
SCHEMBL2132873 0.83 HTR6 (0.72) HTR6ALKKDM4EUBE2NCYP19A1
SCHEMBL945595 0.83 HTR6 (0.72) HTR6ALKKDM4EUBE2NCYP19A1
SCHEMBL12700490 0.83 HTR6 (0.72) HTR6ALKKDM4EUBE2NCYP19A1
SCHEMBL16375238 0.82 HTR6 (0.79) HTR6ALKKDM4EUBE2NCYP19A1
SCHEMBL5726115 0.81 HTR6 (0.69) HTR6
SCHEMBL12641311 0.81 HTR6 (0.69) HTR6ALKKDM4EUBE2NCYP19A1
SCHEMBL27936448 0.81 HTR6 (0.77) HTR6ALKKDM4EUBE2NCYP19A1
SCHEMBL15250049 0.81 HTR6 (1.00) HTR6ALK
SCHEMBL5726304 0.80 HTR6 (0.72) HTR6

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
EP-3965884-A1 MODULATORS OF THR-BETA AND METHODS OF USE THEREOF Aligos Therapeutics, Inc. (US) 2022-03-16 — — EP disclosed
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