SCHEMBL31366254

SCHEMBL31366254

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

nearest known ligand 0.73

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 16/20 0.73
ALK Q9UM73 1/20 0.61
L3MBTL1 Q9Y468 1/20 0.60
KDM4E B2RXH2 1/20 0.57
UBE2N P61088 1/20 0.57
CYP19A1 P11511 1/20 0.57
HTR1A P08908 1/20 0.57
DRD2 P14416 1/20 0.57
HTR1D P28221 1/20 0.57
HTR1B P28222 1/20 0.57
HTR1F P30939 1/20 0.57
HTR7 P34969 1/20 0.57
DRD3 P35462 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 0.88 HTR6 (0.74) HTR6ALKL3MBTL1KDM4EUBE2N
SCHEMBL9239085 0.88 HTR6 (0.86) HTR6ALKKDM4EUBE2NCYP19A1
SCHEMBL31366263 0.88 HTR6 (0.56) HTR6ALKL3MBTL1KDM4EUBE2N
SCHEMBL16375238 0.86 HTR6 (0.79) HTR6ALKL3MBTL1KDM4EUBE2N
SCHEMBL28930519 0.85 HTR6 (0.70) HTR6ALKL3MBTL1KDM4EUBE2N
SCHEMBL15250049 0.85 HTR6 (1.00) HTR6ALK
SCHEMBL27936448 0.85 HTR6 (0.77) HTR6ALKL3MBTL1KDM4EUBE2N
SCHEMBL31366266 0.83 HTR6 (0.53) HTR6ALKL3MBTL1
SCHEMBL28244706 0.82 HTR6 (0.73) HTR6ALKL3MBTL1KDM4EUBE2N
SCHEMBL1518928 0.82 HTR6 (0.72) HTR6HTR1ADRD2HTR1DHTR1B

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-119431386-A Synthesis method of 2'- (trifluoromethyl) -4, 5-dihydro-spiro [ furan-2, 3' -indoline ] derivative 西北师范大学 2025-02-14 CN disclosed