SCHEMBL23536666

SCHEMBL23536666

CN(C)S(=O)(=O)c1ccc(S(=O)(=O)n2nc(N3CCC4(CC3)COC(C)(C)C4)c3ccccc32)cc1

nearest known ligand 0.34

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
GPR119 Q8TDV5 7/20 0.34
HTR6 P50406 2/20 0.33
MEN1 O00255 2/20 0.31
KMT2A Q03164 2/20 0.31
ALDH1A1 P00352 2/20 0.31
MAPK1 P28482 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
ICMT O60725 1/20 0.30
CYP3A4 P08684 3/20 0.30
SMN1; SMN2 Q16637 2/20 0.30
HSD17B10 Q99714 1/20 0.30
CYP1A2 P05177 2/20 0.30
CYP2C9 P11712 2/20 0.30
CYP2C19 P33261 2/20 0.30
USP2 O75604 1/20 0.30
CYP2D6 P10635 1/20 0.30
HIF1A Q16665 1/20 0.30

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
SCHEMBL23536839 0.85 HSD17B10 (0.39) HTR6MEN1KMT2AALDH1A1MAPK1
SCHEMBL23536635 0.80 HSD17B10 (0.48) HTR6MEN1KMT2AALDH1A1MAPK1
SCHEMBL23536682 0.78 HTR6 (0.34) HTR6KMT2ACYP2D6
SCHEMBL23536533 0.75 HTR6 (0.40) HTR6MEN1KMT2AL3MBTL1
SCHEMBL23536644 0.74 GPR119 (0.37) GPR119
SCHEMBL23536556 0.74 GPR119 (0.37) GPR119
SCHEMBL23536557 0.74 GPR119 (0.37) GPR119
SCHEMBL23536596 0.74 SLC6A2 (0.39) HTR6MEN1KMT2ACYP3A4SMN1; SMN2
SCHEMBL23536524 0.74 SMN1; SMN2 (0.36) HTR6ALDH1A1CYP3A4SMN1; SMN2CYP2D6
SCHEMBL29932249 0.72 MCOLN3 (0.46) MEN1KMT2AALDH1A1L3MBTL1CYP3A4

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
WO-2021127333-A1 TRPML MODULATORS CASMA THERAPEUTICS, INC. (US) 2021-06-24 WO disclosed