SCHEMBL25912810

SCHEMBL25912810

CC(C)(C)[S@+]([O-])N[C@H](CN)c1cccs1

nearest known ligand 0.39

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 1/20 0.31
CES2 O00748 1/20 0.30
CES1 P23141 1/20 0.30
KEAP1 Q14145 1/20 0.30
SLC7A5 Q01650 1/20 0.30
L3MBTL1 Q9Y468 1/20 0.30

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
SCHEMBL25325127 1.00 ALOX5 (0.31) ALOX5CES2CES1KEAP1SLC7A5
SCHEMBL25326895 1.00 ALOX5 (0.31) ALOX5CES2CES1KEAP1SLC7A5
SCHEMBL30530715 0.84 L3MBTL1 (0.33) ALOX5L3MBTL1
SCHEMBL25328396 0.81 MEN1 (0.40) CES2CES1KEAP1L3MBTL1
SCHEMBL25326074 0.81 MEN1 (0.40) CES2CES1KEAP1L3MBTL1
SCHEMBL30238674 0.78 MEN1 (0.36) ALOX5L3MBTL1
SCHEMBL16169010 0.77 MAPT (0.34) ALOX5
SCHEMBL23243770 0.76 HPGD (0.41) L3MBTL1
SCHEMBL23243769 0.76 HPGD (0.41) L3MBTL1
SCHEMBL25326465 0.76

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-2023146991-A1 COMPOUNDS AND METHODS OF USE TANGO THERAPEUTICS, INC. (US) 2023-08-03 WO disclosed