SCHEMBL23536713

SCHEMBL23536713

CN(C)S(=O)(=O)c1ccc(S(=O)(=O)n2nc(Cl)c3ccccc32)cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2C19 P33261 1/20 0.41
LMNA P02545 2/20 0.40
HTR6 P50406 3/20 0.39
ALDH1A1 P00352 5/20 0.39
SLC9A1 P19634 1/20 0.38
SMN1; SMN2 Q16637 3/20 0.38
RAB9A P51151 3/20 0.38
NPC1 O15118 2/20 0.38
TP53 P04637 1/20 0.38
MAPK1 P28482 1/20 0.38
HTT P42858 1/20 0.37
LOXL2 Q9Y4K0 2/20 0.37
KDM4E B2RXH2 2/20 0.37
HPGD P15428 1/20 0.37
GFER P55789 1/20 0.37
TSHR P16473 1/20 0.37
VCAM1 P19320 1/20 0.37
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
ALDH3A1 P30838 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
SCHEMBL7011123 0.85 SLC9A1 (0.54) CYP2C19HTR6ALDH1A1SLC9A1SMN1; SMN2
SCHEMBL31713546 0.79 MEN1 (0.39) CYP2C19HTR6ALDH1A1SLC9A1SMN1; SMN2
SCHEMBL23536635 0.76 HSD17B10 (0.48) LMNAHTR6ALDH1A1MAPK1HTT
SCHEMBL23536550 0.74 HTR6 (0.34) LMNAHTR6ALDH1A1SLC9A1SMN1; SMN2
SCHEMBL5888672 0.74 SMN1; SMN2 (0.36) HTR6SMN1; SMN2TSHRMEN1KMT2A
SCHEMBL9117281 0.73 ALDH1A1 (0.40) CYP2C19LMNAALDH1A1SMN1; SMN2TP53
SCHEMBL23536641 0.73 HTT (0.46) CYP2C19LMNAHTR6ALDH1A1SMN1; SMN2
SCHEMBL23536533 0.73 HTR6 (0.40) LMNAHTR6RAB9ALOXL2KDM4E
SCHEMBL5140126 0.71 RORC (0.39) CYP2C19HTR6ALDH1A1SMN1; SMN2MAPK1
SCHEMBL23536839 0.71 HSD17B10 (0.39) CYP2C19LMNAHTR6ALDH1A1SMN1; SMN2

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