SCHEMBL23536136

SCHEMBL23536136

CN(C)S(=O)(=O)c1ccc(SCc2ccccc2N2CCC(c3ccc(Cl)cc3F)CC2)cc1

nearest known ligand 0.38

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
LMNA P02545 4/20 0.36
SMN1; SMN2 Q16637 3/20 0.36
GAA P10253 3/20 0.36
HTT P42858 2/20 0.36
TP53 P04637 1/20 0.36
GRM2 Q14416 4/20 0.35
ALDH1A1 P00352 2/20 0.35
MAPT P10636 1/20 0.35
CNR1 P21554 1/20 0.35
GPR55 Q9Y2T6 1/20 0.35
CCR5 P51681 3/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
USP2 O75604 1/20 0.35
KMT2A Q03164 1/20 0.35
LOXL2 Q9Y4K0 2/20 0.34
OPRL1 P41146 1/20 0.34
THRB P10828 1/20 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
SCHEMBL29932103 1.00 TSHR (0.38) TSHRNPSR1LMNASMN1; SMN2GAA
SCHEMBL24628363 0.87 LMNA (0.44) TSHRNPSR1LMNASMN1; SMN2GAA
SCHEMBL29772850 0.87 LMNA (0.44) TSHRNPSR1LMNASMN1; SMN2GAA
SCHEMBL29932107 0.87 ALDH1A1 (0.37) TSHRNPSR1SMN1; SMN2GAATP53
SCHEMBL29931867 0.87 TSHR (0.39) TSHRNPSR1LMNASMN1; SMN2GAA
SCHEMBL23536124 0.87 TSHR (0.39) TSHRNPSR1LMNASMN1; SMN2GAA
SCHEMBL23536392 0.85 OPRL1 (0.38) TSHRNPSR1GAATP53GRM2
SCHEMBL29932148 0.85 OPRL1 (0.38) TSHRNPSR1GAATP53GRM2
SCHEMBL23535984 0.85 HTR1A (0.42) LMNASMN1; SMN2GAAHTTTP53
SCHEMBL29932077 0.85 HTR1A (0.42) LMNASMN1; SMN2GAAHTTTP53

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-2021127337-A1 TRPML MODULATORS CASMA THERAPEUTICS, INC. (US) 2021-06-24 WO disclosed