SCHEMBL23536104

SCHEMBL23536104

CN(C)S(=O)(=O)c1ccc(S(=O)(=O)Nc2ccccc2N2CCC(C)(C(=O)O)CC2)cc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.49
KDM4E B2RXH2 1/20 0.49
LMNA P02545 1/20 0.49
HPGD P15428 1/20 0.49
MCOLN3 Q8TDD5 2/20 0.49
MCOLN2 Q8IZK6 2/20 0.49
MCOLN1 Q9GZU1 1/20 0.49
L3MBTL1 Q9Y468 3/20 0.48
PKM P14618 1/20 0.48
KMT2A Q03164 3/20 0.45
MEN1 O00255 2/20 0.45
CYP3A4 P08684 1/20 0.45
HSD17B10 Q99714 1/20 0.45
GAA P10253 4/20 0.44
TDP1 Q9NUW8 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
TSHR P16473 2/20 0.44
HTT P42858 2/20 0.44
GFER P55789 1/20 0.43
NAMPT P43490 2/20 0.42

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
SCHEMBL23535974 0.90 MCOLN3 (0.50) ALDH1A1KDM4ELMNAHPGDMCOLN3
SCHEMBL23057075 0.88 MCOLN3 (0.53) ALDH1A1KDM4ELMNAHPGDMCOLN3
SCHEMBL29947245 0.86 MCOLN3 (0.50) ALDH1A1KDM4ELMNAHPGDMCOLN3
SCHEMBL23057079 0.85 MCOLN3 (0.53) ALDH1A1KDM4ELMNAHPGDMCOLN3
SCHEMBL29931953 0.85 MCOLN3 (0.48) ALDH1A1KDM4ELMNAHPGDMCOLN3
SCHEMBL29931845 0.85 MCOLN3 (0.48) ALDH1A1KDM4ELMNAHPGDMCOLN3
SCHEMBL29932013 0.85 MCOLN3 (0.48) ALDH1A1KDM4ELMNAHPGDMCOLN3
SCHEMBL23554963 0.85 MCOLN3 (0.48) ALDH1A1KDM4ELMNAHPGDMCOLN3
SCHEMBL23057263 0.85 MCOLN3 (0.48) ALDH1A1KDM4ELMNAHPGDMCOLN3
SCHEMBL23043799 0.84 MCOLN3 (0.55) ALDH1A1KDM4ELMNAHPGDMCOLN3

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4076423-A1 TRPML MODULATORS Casma Therapeutics, Inc. (US) 2022-10-26 EP disclosed
WO-2021127337-A1 TRPML MODULATORS CASMA THERAPEUTICS, INC. (US) 2021-06-24 WO disclosed