SCHEMBL23536641

SCHEMBL23536641

CN(C)S(=O)(=O)c1ccc(S(=O)(=O)n2nc(N3CCN(c4ccc(Cl)cc4F)CC3)c3ccccc32)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 3/20 0.46
SMN1; SMN2 Q16637 3/20 0.46
LMNA P02545 2/20 0.46
GAA P10253 2/20 0.46
TP53 P04637 2/20 0.46
ALDH1A1 P00352 3/20 0.42
KMT2A Q03164 2/20 0.42
MEN1 O00255 1/20 0.42
MAPT P10636 1/20 0.42
USP2 O75604 2/20 0.41
TSHR P16473 1/20 0.41
MAPK1 P28482 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
DRD4 P21917 1/20 0.41
GRM2 Q14416 1/20 0.41
GPR55 Q9Y2T6 2/20 0.38
CNR1 P21554 1/20 0.38
CYP2C19 P33261 1/20 0.38
GBA1 P04062 3/20 0.38
HTR6 P50406 3/20 0.38

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
SCHEMBL23536616 0.91 ALDH1A1 (0.41) HTTSMN1; SMN2LMNAGAATP53
SCHEMBL23536583 0.86 HTT (0.41) HTTSMN1; SMN2LMNAGAATP53
SCHEMBL23536635 0.78 HSD17B10 (0.48) HTTLMNAGAAALDH1A1KMT2A
SCHEMBL23570345 0.77 ALDH1A1 (0.44) HTTSMN1; SMN2LMNAGAAALDH1A1
SCHEMBL23536538 0.76 HTR6 (0.56) HTTSMN1; SMN2LMNAGAATP53
SCHEMBL23536533 0.75 HTR6 (0.40) LMNAKMT2AMEN1GBA1HTR6
SCHEMBL23536839 0.74 HSD17B10 (0.39) SMN1; SMN2LMNAALDH1A1KMT2AMEN1
SCHEMBL24628362 0.73 LMNA (0.46) HTTSMN1; SMN2LMNAGAATP53
SCHEMBL21244042 0.73 ALDH1A1 (0.52) HTTSMN1; SMN2LMNAGAATP53
SCHEMBL29772887 0.73 LMNA (0.46) HTTSMN1; SMN2LMNAGAATP53

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