SCHEMBL23536616

SCHEMBL23536616

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

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.41
MAPT P10636 3/20 0.41
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
LMNA P02545 3/20 0.40
HTT P42858 3/20 0.40
SMN1; SMN2 Q16637 3/20 0.40
NPSR1 Q6W5P4 2/20 0.40
USP2 O75604 1/20 0.40
TSHR P16473 1/20 0.40
MAPK1 P28482 1/20 0.40
DRD4 P21917 1/20 0.40
GRM2 Q14416 1/20 0.40
GAA P10253 2/20 0.39
TP53 P04637 1/20 0.39
CYP2C19 P33261 1/20 0.37
GBA1 P04062 4/20 0.37
HTR6 P50406 4/20 0.36
CYP3A4 P08684 1/20 0.36
CYP2D6 P10635 1/20 0.36

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 0.91 HTT (0.46) ALDH1A1MAPTMEN1KMT2ALMNA
SCHEMBL23536583 0.78 HTT (0.41) ALDH1A1MAPTMEN1KMT2ALMNA
SCHEMBL23570345 0.75 ALDH1A1 (0.44) ALDH1A1MAPTMEN1KMT2ALMNA
SCHEMBL23536609 0.74 ALDH1A1 (0.40) ALDH1A1MAPTMEN1KMT2ALMNA
SCHEMBL23536561 0.73 RORC (0.36) ALDH1A1MAPTHTR6
SCHEMBL9778470 0.70 HTR6 (0.48) ALDH1A1HTTSMN1; SMN2NPSR1USP2
SCHEMBL9778459 0.70 MAT2A (0.56) ALDH1A1HTTSMN1; SMN2GAAGBA1
SCHEMBL23536635 0.69 HSD17B10 (0.48) ALDH1A1MEN1KMT2ALMNAHTT
SCHEMBL1544929 0.69 HTR6 (0.56) HTR6CYP3A4CYP2D6
SCHEMBL31713541 0.68 GBA1 (0.38) ALDH1A1MAPTKMT2ALMNAHTT

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