SCHEMBL23536196

SCHEMBL23536196

C[C@@H]1CN(CC2CCN(c3c(F)cccc3NS(=O)(=O)c3ccc(S(=O)(=N[Si](C)(C)C(C)(C)C)N(C)C)cc3)CC2)C[C@H](C)O1

nearest known ligand 0.35

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
MCOLN2 Q8IZK6 1/20 0.35
KMO O15229 1/20 0.32
KMT2A Q03164 1/20 0.31

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
SCHEMBL23555119 0.86 MCOLN2 (0.35) MCOLN2KMT2A
SCHEMBL23536479 0.86 MCOLN2 (0.48) MCOLN2KMOKMT2A
SCHEMBL23536230 0.84 MCOLN2 (0.39) MCOLN2KMOKMT2A
SCHEMBL23555092 0.83 MCOLN2 (0.36) MCOLN2KMOKMT2A
SCHEMBL29932095 0.83 LMNA (0.40) MCOLN2KMT2A
SCHEMBL23555120 0.82 MCOLN2 (0.37) MCOLN2KMOKMT2A
SCHEMBL28867429 0.82 MCOLN2 (0.34) MCOLN2KMOKMT2A
SCHEMBL23536204 0.81 ALDH1A1 (0.41) MCOLN2KMT2A
SCHEMBL29932183 0.81 ALDH1A1 (0.41) MCOLN2KMT2A
SCHEMBL23536384 0.81 CRHBP (0.34) MCOLN2KMOKMT2A

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