SCHEMBL23536152

SCHEMBL23536152

CN(C)S(=O)(=O)c1ccc(S(=O)(=O)Cc2ccccc2N2CCC(c3c(F)cccc3F)CC2)cc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.40
THRB P10828 1/20 0.40
ALDH1A1 P00352 3/20 0.40
NPSR1 Q6W5P4 2/20 0.40
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
HTT P42858 2/20 0.40
GRM2 Q14416 1/20 0.39
HSD17B10 Q99714 1/20 0.39
TSHR P16473 1/20 0.39
TP53 P04637 1/20 0.39
MAPT P10636 1/20 0.37
NPC1 O15118 1/20 0.37
RAB9A P51151 1/20 0.37
SMN1; SMN2 Q16637 2/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
NPY5R Q15761 1/20 0.37
STK4 Q13043 1/20 0.36
KDM4E B2RXH2 1/20 0.36
GLA P06280 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
SCHEMBL29931786 1.00 LMNA (0.40) LMNATHRBALDH1A1NPSR1MEN1
SCHEMBL23536202 0.90 MAPT (0.40) LMNATHRBALDH1A1NPSR1MEN1
SCHEMBL29932096 0.89 ALDH1A1 (0.40) LMNATHRBALDH1A1NPSR1MEN1
SCHEMBL29931867 0.85 TSHR (0.39) LMNATHRBALDH1A1NPSR1KMT2A
SCHEMBL23536124 0.85 TSHR (0.39) LMNATHRBALDH1A1NPSR1KMT2A
SCHEMBL24628362 0.80 LMNA (0.46) LMNATHRBALDH1A1NPSR1MEN1
SCHEMBL29772887 0.80 LMNA (0.46) LMNATHRBALDH1A1NPSR1MEN1
SCHEMBL29932238 0.79 LMNA (0.38) LMNATHRBALDH1A1NPSR1MEN1
SCHEMBL23536182 0.74 CXCR4 (0.49) LMNAALDH1A1NPSR1TSHRMAPT
SCHEMBL29932087 0.74 CXCR4 (0.49) LMNAALDH1A1NPSR1TSHRMAPT

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