SCHEMBL23536583

SCHEMBL23536583

CN(C)S(=O)(=O)c1ccc(S(=O)(=O)n2nc(C3CCN(c4ccc(Cl)cc4F)CC3)c3ccccc32)cc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 3/20 0.41
LMNA P02545 2/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
GAA P10253 2/20 0.41
TP53 P04637 1/20 0.41
USP2 O75604 2/20 0.37
TSHR P16473 1/20 0.37
MAPK1 P28482 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
HTR6 P50406 5/20 0.37
DRD4 P21917 1/20 0.37
GRM2 Q14416 1/20 0.37
CYP2C19 P33261 1/20 0.36
POLB P06746 1/20 0.35
ADORA2B P29275 1/20 0.35
AVPR1A P37288 1/20 0.35
GPR55 Q9Y2T6 2/20 0.35
CNR1 P21554 2/20 0.35
ALDH1A1 P00352 2/20 0.34
KMT2A Q03164 2/20 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
SCHEMBL23536641 0.86 HTT (0.46) HTTLMNASMN1; SMN2GAATP53
SCHEMBL23536538 0.82 HTR6 (0.56) HTTLMNASMN1; SMN2GAATP53
SCHEMBL23536616 0.78 ALDH1A1 (0.41) HTTLMNASMN1; SMN2GAATP53
SCHEMBL29931785 0.76 LMNA (0.44) HTTLMNASMN1; SMN2GAATP53
SCHEMBL23536592 0.76 LMNA (0.44) HTTLMNASMN1; SMN2GAATP53
SCHEMBL29772915 0.74 MCOLN2 (0.46) HTTLMNASMN1; SMN2GAATP53
SCHEMBL24629102 0.74 MCOLN2 (0.46) HTTLMNASMN1; SMN2GAATP53
SCHEMBL23536460 0.72 GAA (0.46) HTTLMNASMN1; SMN2GAATP53
SCHEMBL29932225 0.72 GAA (0.40) HTTLMNASMN1; SMN2GAATP53
SCHEMBL29931746 0.72 ALDH1A1 (0.40) HTTLMNASMN1; SMN2GAATP53

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