SCHEMBL23536303

SCHEMBL23536303

CN(C)S(=O)(=O)c1ccc(S(=O)(=O)n2ccc(C3CCN(c4ncc(Cl)cc4F)CC3)n2)cc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 1/20 0.40
HTT P42858 3/20 0.37
SMN1; SMN2 Q16637 3/20 0.37
LMNA P02545 1/20 0.37
TP53 P04637 1/20 0.37
GAA P10253 1/20 0.37
PDE2A O00408 1/20 0.33
SMO Q99835 2/20 0.33
FPR2 P25090 1/20 0.33
PROKR1 Q8TCW9 1/20 0.33
GPR119 Q8TDV5 3/20 0.32
KCNH2 Q12809 1/20 0.32
MAPT P10636 3/20 0.32
CYP3A4 P08684 2/20 0.32
CYP2C9 P11712 2/20 0.32
CYP2C19 P33261 2/20 0.32
PTGS1 P23219 1/20 0.32
PTGS2 P35354 1/20 0.32
HSD17B10 Q99714 1/20 0.32
MEN1 O00255 1/20 0.31

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
SCHEMBL29931843 0.88 MAPK14 (0.35) MAPK14SMN1; SMN2PDE2ASMOFPR2
SCHEMBL23536405 0.73 HTR2C (0.39) HTTSMN1; SMN2LMNAGAAMAPT
SCHEMBL29932243 0.72 LMNA (0.38) MAPK14HTTSMN1; SMN2LMNATP53
SCHEMBL23536043 0.72 LMNA (0.38) MAPK14HTTSMN1; SMN2LMNATP53
SCHEMBL23536355 0.70 LMNA (0.41) HTTSMN1; SMN2LMNATP53GAA
SCHEMBL29932092 0.70 LMNA (0.41) HTTSMN1; SMN2LMNATP53GAA
SCHEMBL23536372 0.69 GPR119 (0.44) GPR119
SCHEMBL29931785 0.69 LMNA (0.44) HTTSMN1; SMN2LMNATP53GAA
SCHEMBL23536592 0.69 LMNA (0.44) HTTSMN1; SMN2LMNATP53GAA
SCHEMBL30232519 0.67 SLC9A1 (0.37) GAAMAPTCYP2C9CYP2C19MEN1

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4076423-A1 TRPML MODULATORS Casma Therapeutics, Inc. (US) 2022-10-26 EP disclosed
CN-115087440-A TRPML modulators 卡斯玛治疗公司 2022-09-20 CN disclosed
WO-2021127337-A1 TRPML MODULATORS CASMA THERAPEUTICS, INC. (US) 2021-06-24 WO disclosed