SCHEMBL23536612

SCHEMBL23536612

CN(C)S(=O)(=O)c1ccc(S(=O)(=O)n2nc(N3CCC(COC(F)F)CC3)c3ccccc32)cc1

nearest known ligand 0.37

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
JAK2 O60674 1/20 0.35
JAK1 P23458 1/20 0.35
TYK2 P29597 1/20 0.35
JAK3 P52333 1/20 0.35
ENPP1 P22413 1/20 0.35
HTR6 P50406 7/20 0.35
KDM4E B2RXH2 1/20 0.34
LMNA P02545 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
ALDH1A1 P00352 1/20 0.33
PTGDR2 Q9Y5Y4 1/20 0.33
CCR5 P51681 1/20 0.33
LOXL2 Q9Y4K0 2/20 0.32
PTAFR P25105 1/20 0.32
TRPM8 Q7Z2W7 1/20 0.32
CYP2D6 P10635 1/20 0.32
GBA1 P04062 1/20 0.32
RAB9A P51151 1/20 0.32

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
SCHEMBL23536533 0.85 HTR6 (0.40) ENPP1HTR6KDM4ELMNAL3MBTL1
SCHEMBL23536635 0.78 HSD17B10 (0.48) HTR6KDM4ELMNAALDH1A1
SCHEMBL23536682 0.76 HTR6 (0.34) HTR6LMNAPTGDR2LOXL2CYP2D6
SCHEMBL23536839 0.74 HSD17B10 (0.39) JAK2JAK1HTR6LMNAALDH1A1
SCHEMBL23536550 0.73 HTR6 (0.34) HTR6LMNAALDH1A1LOXL2CYP2D6
SCHEMBL23536641 0.73 HTT (0.46) HTR6LMNAALDH1A1CYP2D6GBA1
SCHEMBL23536596 0.73 SLC6A2 (0.39) HTR6LMNAPTGDR2CYP2D6GBA1
SCHEMBL23536666 0.71 GPR119 (0.34) HTR6L3MBTL1ALDH1A1CYP2D6
SCHEMBL23536661 0.70 SMN1; SMN2 (0.46) HTR6LMNAPTGDR2CYP2D6GBA1
SCHEMBL23536713 0.69 CYP2C19 (0.41) HTR6KDM4ELMNAL3MBTL1ALDH1A1

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