SCHEMBL23536667

SCHEMBL23536667

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

nearest known ligand 0.34

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.34
GAA P10253 2/20 0.34
HTT P42858 2/20 0.34
SMN1; SMN2 Q16637 2/20 0.34
TP53 P04637 1/20 0.34
HTR6 P50406 7/20 0.33
LOXL2 Q9Y4K0 2/20 0.33
CYP2D6 P10635 3/20 0.32
CYP3A4 P08684 2/20 0.32
CCR1 P32246 1/20 0.32
SLC6A4 P31645 1/20 0.31
SLC6A3 Q01959 1/20 0.31
MAPT P10636 2/20 0.31
PTGDR2 Q9Y5Y4 1/20 0.31
GBA1 P04062 1/20 0.31
SCN9A Q15858 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
SCHEMBL23536619 0.92 TP53 (0.34) LMNAGAAHTTSMN1; SMN2TP53
SCHEMBL23536585 0.86 LMNA (0.34) LMNAGAAHTTSMN1; SMN2TP53
SCHEMBL23536772 0.83 LMNA (0.39) LMNASMN1; SMN2TP53CYP3A4SLC6A4
SCHEMBL23536596 0.82 SLC6A2 (0.39) LMNAGAAHTTSMN1; SMN2TP53
SCHEMBL23536524 0.81 SMN1; SMN2 (0.36) LMNAGAAHTTSMN1; SMN2TP53
Formic Acid SCHEMBL23536757 0.78 LMNA (0.33) LMNAGAAHTTSMN1; SMN2TP53
SCHEMBL23536661 0.76 SMN1; SMN2 (0.46) LMNAGAAHTTSMN1; SMN2TP53
SCHEMBL23536682 0.75 HTR6 (0.34) LMNAGAAHTR6LOXL2CYP2D6
SCHEMBL23536839 0.75 HSD17B10 (0.39) LMNASMN1; SMN2HTR6CYP2D6CYP3A4
SCHEMBL23536635 0.74 HSD17B10 (0.48) LMNAGAAHTTHTR6

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