SCHEMBL23536283

SCHEMBL23536283

CCc1cc(F)c(N2CCC(C(=O)O)CC2)c(NS(=O)(=O)c2ccc(S(=O)(=O)N(C)C)cc2)c1

nearest known ligand 0.44

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MCOLN2 Q8IZK6 1/20 0.44
ALDH1A1 P00352 6/20 0.43
METAP2 P50579 2/20 0.40
GAA P10253 2/20 0.39
HTT P42858 1/20 0.39
KDM4E B2RXH2 2/20 0.39
LMNA P02545 2/20 0.39
HPGD P15428 1/20 0.39
L3MBTL1 Q9Y468 2/20 0.38
RECQL P46063 1/20 0.38
KMT2A Q03164 3/20 0.37
MEN1 O00255 1/20 0.37
LIMK2 P53671 1/20 0.36
TP53 P04637 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
THRB P10828 1/20 0.36
MAPT P10636 1/20 0.35
MALT1 Q9UDY8 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
SCHEMBL23043638 0.86 ALDH1A1 (0.48) ALDH1A1GAAHTTKDM4ELMNA
SCHEMBL23536018 0.81 ALDH1A1 (0.42) ALDH1A1KDM4ELMNAL3MBTL1KMT2A
SCHEMBL23043612 0.78 ALDH1A1 (0.52) MCOLN2ALDH1A1GAAHTTKDM4E
SCHEMBL23536282 0.76 RECQL (0.54) MCOLN2ALDH1A1KDM4ELMNAL3MBTL1
SCHEMBL23536098 0.71 TP53 (0.44) ALDH1A1KDM4EHPGDL3MBTL1TP53
SCHEMBL23536173 0.71 TP53 (0.44) ALDH1A1HTTKDM4EHPGDL3MBTL1
SCHEMBL23536231 0.70 POLB (0.59) ALDH1A1KMT2ATP53SMN1; SMN2MAPT
SCHEMBL29948512 0.69 MCOLN2 (0.56) MCOLN2ALDH1A1GAAHTTKDM4E
SCHEMBL23043625 0.69 ALDH1A1 (0.52) MCOLN2ALDH1A1GAAHTTKDM4E
SCHEMBL23536308 0.69 TP53 (0.42) ALDH1A1KDM4EHPGDL3MBTL1TP53

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-2021127337-A1 TRPML MODULATORS CASMA THERAPEUTICS, INC. (US) 2021-06-24 WO disclosed