SCHEMBL29948535

SCHEMBL29948535

CN(C)S(=O)(=O)c1ccc(S(=O)(=O)Nc2cccc(F)c2N2CCC(CN3CC4CC(C3)O4)CC2)cc1

nearest known ligand 0.48

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MCOLN2 Q8IZK6 1/20 0.48
L3MBTL1 Q9Y468 4/20 0.34
KDM4E B2RXH2 2/20 0.34
LMNA P02545 2/20 0.34
ALDH1A1 P00352 4/20 0.34
GAA P10253 3/20 0.34
HTT P42858 2/20 0.34
KMO O15229 1/20 0.34
LIMK2 P53671 1/20 0.33
RXFP1 Q9HBX9 1/20 0.33
MEN1 O00255 3/20 0.33
HPGD P15428 1/20 0.33
PKM P14618 1/20 0.32
MCOLN3 Q8TDD5 1/20 0.32
POLB P06746 1/20 0.32
HTR1A P08908 1/20 0.32
KMT2A Q03164 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
MAPK1 P28482 1/20 0.32

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
SCHEMBL23536276 1.00 MCOLN2 (0.48) MCOLN2L3MBTL1KDM4ELMNAALDH1A1
SCHEMBL23536479 0.91 MCOLN2 (0.48) MCOLN2L3MBTL1KDM4ELMNAALDH1A1
SCHEMBL23536230 0.83 MCOLN2 (0.39) MCOLN2L3MBTL1KDM4ELMNAALDH1A1
SCHEMBL29931947 0.83 MCOLN2 (0.48) MCOLN2L3MBTL1KDM4ELMNAALDH1A1
SCHEMBL23555092 0.81 MCOLN2 (0.36) MCOLN2L3MBTL1KDM4ELMNAKMO
SCHEMBL29932095 0.81 LMNA (0.40) MCOLN2L3MBTL1KDM4ELMNAALDH1A1
SCHEMBL23555120 0.81 MCOLN2 (0.37) MCOLN2L3MBTL1KMOLIMK2RXFP1
SCHEMBL28867429 0.80 MCOLN2 (0.34) MCOLN2L3MBTL1KDM4ELMNAALDH1A1
SCHEMBL23536204 0.79 ALDH1A1 (0.41) MCOLN2L3MBTL1KDM4ELMNAALDH1A1
SCHEMBL29932183 0.79 ALDH1A1 (0.41) MCOLN2L3MBTL1KDM4ELMNAALDH1A1

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
EP-4076423-A1 TRPML MODULATORS Casma Therapeutics, Inc. (US) 2022-10-26 EP disclosed