SCHEMBL24628443

SCHEMBL24628443

CN(C)S(=O)(=O)c1ccc(S(=O)(=O)Nc2ccccc2N2C[C@H]3C[C@@H]2CN3c2ccc(Cl)cc2F)cc1

nearest known ligand 0.43

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MCOLN2 Q8IZK6 1/20 0.43
ALDH1A1 P00352 3/20 0.41
LMNA P02545 3/20 0.41
KDM4E B2RXH2 1/20 0.41
HPGD P15428 1/20 0.41
PKM P14618 1/20 0.39
MCOLN3 Q8TDD5 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
MEN1 O00255 1/20 0.38
MAPT P10636 1/20 0.38
KMT2A Q03164 1/20 0.38
MCL1 Q07820 1/20 0.38
TSHR P16473 2/20 0.38
TAS2R14 Q9NYV8 1/20 0.38
POLB P06746 1/20 0.38
CCR2 P41597 1/20 0.36
GHSR Q92847 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
SCHEMBL29772873 1.00 MCOLN2 (0.43) MCOLN2ALDH1A1LMNAKDM4EHPGD
SCHEMBL21244042 0.84 ALDH1A1 (0.52) MCOLN2ALDH1A1LMNAKDM4EHPGD
SCHEMBL29931981 0.82 MCOLN2 (0.47) MCOLN2ALDH1A1LMNAKDM4EHPGD
SCHEMBL29772898 0.79 MCOLN2 (0.46) MCOLN2ALDH1A1LMNAKDM4EHPGD
SCHEMBL24628440 0.79 MCOLN2 (0.46) MCOLN2ALDH1A1LMNAKDM4EHPGD
SCHEMBL24628433 0.78 MCOLN2 (0.46) MCOLN2ALDH1A1LMNAKDM4EHPGD
SCHEMBL29772844 0.78 MCOLN2 (0.46) MCOLN2ALDH1A1LMNAKDM4EHPGD
SCHEMBL23536363 0.77 MCOLN2 (0.48) MCOLN2ALDH1A1LMNAKDM4EHPGD
SCHEMBL24629102 0.77 MCOLN2 (0.46) MCOLN2ALDH1A1LMNAKDM4EHPGD
SCHEMBL29772915 0.77 MCOLN2 (0.46) MCOLN2ALDH1A1LMNAKDM4EHPGD

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-2022150461-A1 MODULATORS OF TRPML, THEIR COMPOSITIONS AND METHODS OF USE CARAWAY THERAPEUTICS, INC. (US) 2022-07-14 WO disclosed