SCHEMBL29947162

SCHEMBL29947162

CN(C)S(=O)(=O)c1ccc(S(=O)(=O)Nc2cccc(Cl)c2N2CCC(Oc3cccnc3)CC2)cc1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MCOLN2 Q8IZK6 1/20 0.62
CCR2 P41597 1/20 0.40
RORC P51449 1/20 0.40
ALDH1A1 P00352 2/20 0.39
LMNA P02545 2/20 0.39
KDM4E B2RXH2 1/20 0.39
HPGD P15428 1/20 0.39
MAPK14 Q16539 1/20 0.38
SPR P35270 1/20 0.38
SCN8A Q9UQD0 3/20 0.38
CHRM4 P08173 1/20 0.37
NAMPT P43490 2/20 0.36
PDE3B Q13370 1/20 0.36
PDE3A Q14432 1/20 0.36
PDE10A Q9Y233 1/20 0.36
CYP3A4 P08684 1/20 0.36
EPHX2 P34913 1/20 0.35
USP2 O75604 1/20 0.35
ALOX15 P16050 1/20 0.35
OPRK1 P41145 1/20 0.35

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
SCHEMBL23355006 0.86 NAMPT (0.45) MCOLN2RORCALDH1A1LMNAKDM4E
SCHEMBL31036862 0.84 MCOLN2 (0.63) MCOLN2ALDH1A1LMNAKDM4EHPGD
SCHEMBL23057083 0.81 MCOLN2 (0.78) MCOLN2ALDH1A1LMNAKDM4EHPGD
SCHEMBL29978619 0.80 MCOLN2 (0.77) MCOLN2RORCALDH1A1LMNAKDM4E
SCHEMBL23057211 0.77 MCOLN2 (1.00) MCOLN2ALDH1A1LMNAKDM4EHPGD
SCHEMBL29947152 0.77 MCOLN2 (0.51) MCOLN2CCR2ALDH1A1LMNAKDM4E
SCHEMBL23379695 0.76 MCOLN3 (0.45) MCOLN2RORCALDH1A1LMNAKDM4E
SCHEMBL23355078 0.75 MCOLN3 (0.51) MCOLN2ALDH1A1LMNAKDM4EHPGD
SCHEMBL29947304 0.75 MCOLN2 (0.51) MCOLN2CCR2ALDH1A1LMNAKDM4E
SCHEMBL29947135 0.73 MCOLN2 (0.48) MCOLN2RORCALDH1A1LMNASCN8A

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-4337206-A1 HETEROCYCLIC TRPML1 AGONISTS AND USES THEREOF Libra Therapeutics, Inc. (US) 2024-03-20 EP disclosed
WO-2022240992-A1 HETEROCYCLIC TRPML1 AGONISTS AND USES THEREOF LIBRA THERAPEUTICS, INC. (US) 2022-11-17 WO disclosed