SCHEMBL23536187

SCHEMBL23536187

CN(C)S(=O)(=O)c1cccc(OS(C)(=O)=O)c1.[NaH]

nearest known ligand 0.55

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 3/20 0.47
NPC1 O15118 2/20 0.47
TNF P01375 1/20 0.47
NOD1 Q9Y239 1/20 0.47
LMNA P02545 3/20 0.47
ALDH1A1 P00352 3/20 0.44
SMN1; SMN2 Q16637 3/20 0.44
HTT P42858 1/20 0.44
MAPT P10636 2/20 0.44
PGR P06401 2/20 0.43
MEN1 O00255 3/20 0.43
KMT2A Q03164 3/20 0.43
TAS2R14 Q9NYV8 1/20 0.40
LOX P28300 1/20 0.40

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
SCHEMBL29931795 0.98 RAB9A (0.49) RAB9ANPC1TNFNOD1LMNA
SCHEMBL29932025 0.98 RAB9A (0.49) RAB9ANPC1TNFNOD1LMNA
SCHEMBL29782844 0.81 PGR (0.61) RAB9ANPC1TNFNOD1LMNA
SCHEMBL4952964 0.81 PGR (0.61) RAB9ANPC1TNFNOD1LMNA
SCHEMBL3838916 0.78 CA2 (0.60) ALDH1A1
SCHEMBL7163455 0.78 RAB9A (0.63) RAB9ANPC1TNFNOD1LMNA
SCHEMBL10995381 0.77 ALDH1A1 (0.43) ALDH1A1
SCHEMBL12896230 0.77 RAB9A (0.47) RAB9ANPC1TNFNOD1LMNA
SCHEMBL10741172 0.76 PSIP1 (0.48) ALDH1A1
SCHEMBL17287517 0.73 CA1 (0.45) LMNAALDH1A1MAPTPGRKMT2A

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-2021127337-A1 TRPML MODULATORS CASMA THERAPEUTICS, INC. (US) 2021-06-24 WO disclosed