SCHEMBL23536230

SCHEMBL23536230

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

nearest known ligand 0.39

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MCOLN2 Q8IZK6 1/20 0.39
RXFP1 Q9HBX9 1/20 0.34
KMT2A Q03164 1/20 0.34
KMO O15229 1/20 0.33
GHSR Q92847 3/20 0.32
LIMK2 P53671 1/20 0.32
MEN1 O00255 1/20 0.32
PKM P14618 1/20 0.32
MCOLN3 Q8TDD5 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
POLB P06746 1/20 0.31
CXCR2 P25025 1/20 0.31
KDM4E B2RXH2 1/20 0.31
LMNA P02545 1/20 0.31
ALDH1A1 P00352 1/20 0.31
GAA P10253 1/20 0.31
HTT P42858 1/20 0.31
KCNH2 Q12809 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
SCHEMBL23536479 0.92 MCOLN2 (0.48) MCOLN2RXFP1KMT2AKMOGHSR
SCHEMBL23555092 0.89 MCOLN2 (0.36) MCOLN2RXFP1KMT2AKMOGHSR
SCHEMBL29932095 0.89 LMNA (0.40) MCOLN2RXFP1KMT2AGHSRPKM
SCHEMBL23536204 0.88 ALDH1A1 (0.41) MCOLN2RXFP1KMT2AMEN1L3MBTL1
SCHEMBL29932183 0.88 ALDH1A1 (0.41) MCOLN2RXFP1KMT2AMEN1L3MBTL1
SCHEMBL23555120 0.88 MCOLN2 (0.37) MCOLN2RXFP1KMT2AKMOGHSR
SCHEMBL28867429 0.87 MCOLN2 (0.34) MCOLN2RXFP1KMT2AKMOGHSR
SCHEMBL23536196 0.84 MCOLN2 (0.35) MCOLN2KMT2AKMO
SCHEMBL23536384 0.84 CRHBP (0.34) MCOLN2KMT2AKMOGHSRCXCR2
SCHEMBL29931978 0.84 CRHBP (0.34) MCOLN2KMT2AKMOGHSRCXCR2

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