SCHEMBL23536561

SCHEMBL23536561

CN(C)S(=N)(=O)c1ccc(S(=O)(=O)n2nc(N3CCC(O)(c4ccc(Cl)cc4F)CC3)c3ncccc32)cc1

nearest known ligand 0.36

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
RORC P51449 2/20 0.36
ALDH1A1 P00352 1/20 0.34
HSD11B1 P28845 2/20 0.33
GLP1R P43220 2/20 0.33
HCRTR1 O43613 1/20 0.33
MAPT P10636 1/20 0.33
PKLR P30613 8/20 0.32
PDE4A P27815 1/20 0.32
HTR1A P08908 1/20 0.31
DRD2 P14416 1/20 0.31
HTR7 P34969 1/20 0.31
HTR6 P50406 1/20 0.31
SLC6A9 P48067 1/20 0.31
MMP1 P03956 1/20 0.31
ADAM17 P78536 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
SCHEMBL23570345 0.73 ALDH1A1 (0.44) ALDH1A1HSD11B1MAPTHTR1ADRD2
SCHEMBL23536616 0.73 ALDH1A1 (0.41) ALDH1A1MAPTHTR6
SCHEMBL23536541 0.73 RORC (0.37) RORCHSD11B1HCRTR1MAPTPDE4A
SCHEMBL23536756 0.71 LMNA (0.35) RORCALDH1A1HSD11B1HCRTR1MAPT
SCHEMBL23536626 0.70 HSD11B1 (0.46) ALDH1A1HSD11B1
SCHEMBL23536536 0.67 HSD11B1 (0.40) RORCALDH1A1HSD11B1HCRTR1MAPT
SCHEMBL23536641 0.65 HTT (0.46) ALDH1A1MAPTHTR6
SCHEMBL23570175 0.63 HTR6 (0.63) HTR1ADRD2HTR7HTR6
SCHEMBL23536619 0.62 TP53 (0.34) ALDH1A1MAPTHTR6
SCHEMBL23536675 0.61 HSD11B1 (0.39) RORCALDH1A1HSD11B1MAPTPDE4A

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