SCHEMBL23536619

SCHEMBL23536619

CN(C)S(=O)(=O)c1ccc(S(=O)(=O)n2nc(N3CCC(CO)(c4ccc(F)cc4F)CC3)c3ccccc32)cc1

nearest known ligand 0.36

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TP53 P04637 2/20 0.34
LMNA P02545 2/20 0.34
GAA P10253 1/20 0.34
HTT P42858 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
ALDH1A1 P00352 1/20 0.33
CCR1 P32246 1/20 0.33
PTGDR2 Q9Y5Y4 2/20 0.33
SCN9A Q15858 1/20 0.32
HTR6 P50406 5/20 0.32
CYP3A4 P08684 2/20 0.32
CYP2D6 P10635 2/20 0.32
HTR2A P28223 1/20 0.32
MAPT P10636 2/20 0.31
LOXL2 Q9Y4K0 1/20 0.31
MEN1 O00255 1/20 0.31
KMT2A Q03164 1/20 0.31
GBA1 P04062 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
SCHEMBL23536667 0.92 LMNA (0.34) TP53LMNAGAAHTTSMN1; SMN2
SCHEMBL23536585 0.86 LMNA (0.34) TP53LMNAGAAHTTSMN1; SMN2
SCHEMBL23536772 0.85 LMNA (0.39) TP53LMNASMN1; SMN2ALDH1A1CYP3A4
SCHEMBL23536596 0.82 SLC6A2 (0.39) TP53LMNAGAAHTTSMN1; SMN2
SCHEMBL23536524 0.81 SMN1; SMN2 (0.36) TP53LMNAGAAHTTSMN1; SMN2
Formic Acid SCHEMBL23536757 0.78 LMNA (0.33) TP53LMNAGAAHTTSMN1; SMN2
SCHEMBL23536661 0.78 SMN1; SMN2 (0.46) TP53LMNAGAAHTTSMN1; SMN2
SCHEMBL23536533 0.76 HTR6 (0.40) LMNAHTR6LOXL2MEN1KMT2A
SCHEMBL23536839 0.75 HSD17B10 (0.39) LMNASMN1; SMN2ALDH1A1HTR6CYP3A4
SCHEMBL23536635 0.74 HSD17B10 (0.48) LMNAGAAHTTALDH1A1HTR6

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