SCHEMBL29932016

SCHEMBL29932016

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

nearest known ligand 0.47

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MCOLN2 Q8IZK6 1/20 0.47
KMT2A Q03164 1/20 0.34
KMO O15229 1/20 0.33
GHSR Q92847 3/20 0.32
LIMK2 P53671 1/20 0.32
RXFP1 Q9HBX9 1/20 0.32
KDM4E B2RXH2 2/20 0.32
ALDH1A1 P00352 2/20 0.32
LMNA P02545 2/20 0.32
HPGD P15428 1/20 0.32
L3MBTL1 Q9Y468 2/20 0.32
PKM P14618 1/20 0.32
MCOLN3 Q8TDD5 1/20 0.32
CXCR2 P25025 1/20 0.31
GAA P10253 1/20 0.31
HTT P42858 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
SCHEMBL29931901 0.92 MCOLN2 (0.47) MCOLN2KMT2AKMOGHSRLIMK2
SCHEMBL29931911 0.90 MCOLN2 (0.45) MCOLN2KMT2AKMOGHSRLIMK2
SCHEMBL23536479 0.85 MCOLN2 (0.48) MCOLN2KMT2AKMOGHSRLIMK2
SCHEMBL29948588 0.78 TDP1 (0.32)
SCHEMBL29932019 0.77 MCOLN2 (0.49) MCOLN2KMT2AKMOGHSRLIMK2
SCHEMBL23057224 0.77 MCOLN2 (0.76) MCOLN2KMORXFP1KDM4EALDH1A1
SCHEMBL29932105 0.77 MCOLN2 (0.55) MCOLN2KMOGHSRLIMK2RXFP1
SCHEMBL23536230 0.77 MCOLN2 (0.39) MCOLN2KMT2AKMOGHSRLIMK2
SCHEMBL23536276 0.76 MCOLN2 (0.48) MCOLN2KMT2AKMOLIMK2RXFP1
SCHEMBL29948535 0.76 MCOLN2 (0.48) MCOLN2KMT2AKMOLIMK2RXFP1

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
CN-115087440-A TRPML modulators 卡斯玛治疗公司 2022-09-20 CN disclosed