SCHEMBL23536574

SCHEMBL23536574

CN(C)S(=O)(=O)c1ccc(S(=O)(=O)n2ncc3c(Oc4ccc(Cl)cc4F)cccc32)cc1

nearest known ligand 0.40

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 2/20 0.40
SLC6A4 P31645 2/20 0.40
SLC6A3 Q01959 1/20 0.40
PTGER3 P43115 2/20 0.39
PTGFR P43088 1/20 0.39
PSEN1 P49768 1/20 0.37
PSEN2 P49810 1/20 0.37
APH1B Q8WW43 1/20 0.37
NCSTN Q92542 1/20 0.37
APH1A Q96BI3 1/20 0.37
PSENEN Q9NZ42 1/20 0.37
SCN9A Q15858 7/20 0.37
SLC22A12 Q96S37 1/20 0.37
CCR1 P32246 1/20 0.37
PTGDR2 Q9Y5Y4 1/20 0.36
RORC P51449 2/20 0.35
KCNH2 Q12809 1/20 0.35
BRD4 O60885 2/20 0.35
CYP2C19 P33261 1/20 0.35

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
SCHEMBL23536654 0.83 SCN5A (0.38) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL23536676 0.81 HTR6 (0.38) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL23536553 0.81 MAPT (0.38) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL23536607 0.73 HTR6 (0.44) CCR1
SCHEMBL23536755 0.71 CCR1 (0.43) CCR1RORC
SCHEMBL23536641 0.69 HTT (0.46) CYP2C19
SCHEMBL29836123 0.69 SLC6A2 (0.36) SLC6A2SLC6A4SLC6A3SCN9AKCNH2
SCHEMBL28364292 0.69 SLC6A2 (0.36) SLC6A2SLC6A4SLC6A3SCN9AKCNH2
SCHEMBL23536620 0.68 HTR6 (0.49)
SCHEMBL23536590 0.67 MEN1 (0.38) PSEN1PSEN2APH1BNCSTNAPH1A

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