SCHEMBL29948612

SCHEMBL29948612

CN(C)S(=O)(=O)c1ccc(S(N)(=O)=O)c(-c2ccccc2N2CCC(C)(C3C(O)C3O)CC2)c1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.36
THRB P10828 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
GPR55 Q9Y2T6 4/20 0.36
KIF18A Q8NI77 1/20 0.35
ALDH1A1 P00352 6/20 0.35
KDM4E B2RXH2 3/20 0.35
GAA P10253 3/20 0.35
HTT P42858 3/20 0.35
TSHR P16473 2/20 0.35
HPGD P15428 1/20 0.35
MEN1 O00255 5/20 0.35
KMT2A Q03164 5/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
MAPK1 P28482 1/20 0.35
CNR1 P21554 2/20 0.34
POLB P06746 1/20 0.34
CNR2 P34972 1/20 0.34
ABCB11 O95342 1/20 0.34
HTR1A P08908 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
SCHEMBL30232540 0.84 ALDH1A1 (0.38) LMNATHRBL3MBTL1GPR55KIF18A
SCHEMBL29932225 0.67 GAA (0.40) LMNATHRBGPR55ALDH1A1GAA
SCHEMBL29932142 0.66 PDE4B (0.33) LMNAGAAHTTSMN1; SMN2HTR1A
SCHEMBL23536497 0.64 PAX8 (0.36) LMNATHRBALDH1A1KDM4EGAA
SCHEMBL29931763 0.64 PAX8 (0.36) LMNATHRBALDH1A1KDM4EGAA
SCHEMBL23057075 0.64 MCOLN3 (0.53) LMNAL3MBTL1ALDH1A1KDM4EGAA
SCHEMBL29931821 0.63 MAPT (0.36) LMNAALDH1A1KDM4EHTTTSHR
SCHEMBL29932013 0.62 MCOLN3 (0.48) LMNAL3MBTL1KIF18AALDH1A1KDM4E
SCHEMBL23535974 0.61 MCOLN3 (0.50) LMNAL3MBTL1ALDH1A1KDM4EGAA
SCHEMBL23057263 0.60 MCOLN3 (0.48) LMNAL3MBTL1ALDH1A1KDM4EGAA

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