SCHEMBL23536654

SCHEMBL23536654

CN(C)S(=O)(=O)c1ccc(S(=O)(=O)n2ncc3c(-c4ccc(Cl)cc4F)cccc32)cc1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SCN5A Q14524 1/20 0.38
SCN9A Q15858 1/20 0.38
CYP2C19 P33261 2/20 0.37
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
HTR6 P50406 3/20 0.36
CCR1 P32246 2/20 0.36
ALOX5AP P20292 2/20 0.36
FEN1 P39748 2/20 0.36
RORC P51449 4/20 0.35
LOXL2 Q9Y4K0 2/20 0.35
LMNA P02545 1/20 0.34
TP53 P04637 1/20 0.34
GAA P10253 1/20 0.34
HTT P42858 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34

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
SCHEMBL23536676 0.90 HTR6 (0.38) CYP2C19PSEN1PSEN2APH1BNCSTN
SCHEMBL23536553 0.83 MAPT (0.38) CYP2C19PSEN1PSEN2APH1BNCSTN
SCHEMBL23536574 0.83 SLC6A2 (0.40) SCN9ACYP2C19PSEN1PSEN2APH1B
SCHEMBL23536744 0.78 ALDH3A1 (0.46) SCN5ASCN9APSEN1PSEN2APH1B
SCHEMBL23536620 0.76 HTR6 (0.49) HTR6CYP3A4
SCHEMBL23536607 0.75 HTR6 (0.44) HTR6CCR1LMNAHTTSMN1; SMN2
SCHEMBL23536755 0.71 CCR1 (0.43) HTR6CCR1RORCLMNATP53
SCHEMBL23536641 0.71 HTT (0.46) CYP2C19HTR6LMNATP53GAA
SCHEMBL23536713 0.67 CYP2C19 (0.41) CYP2C19HTR6LOXL2LMNATP53
SCHEMBL23569703 0.66 HTR6 (0.57) HTR6HTT

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