SCHEMBL30258129

SCHEMBL30258129

C/C(=N\[S@@+]([O-])C(C)(C)C)c1ccc(Br)c2ccccc12

nearest known ligand 0.36

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
RXFP1 Q9HBX9 1/20 0.36
CNR1 P21554 4/20 0.35
CNR2 P34972 4/20 0.35
GPR3 P46089 1/20 0.35
CYP2D6 P10635 1/20 0.33
CYP2C19 P33261 1/20 0.33
PRNP P04156 1/20 0.32
EPHX1 P07099 1/20 0.31
MEN1 O00255 2/20 0.31
KMT2A Q03164 2/20 0.31
PKM P14618 1/20 0.31
NPC1 O15118 1/20 0.30
HTT P42858 1/20 0.30
RAB9A P51151 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
SCHEMBL1590555 0.79 NR4A1 (0.40) CNR2GPR3MEN1KMT2ANPC1
SCHEMBL1590558 0.79 NR4A1 (0.40) CNR2GPR3MEN1KMT2ANPC1
SCHEMBL1590559 0.79 NR4A1 (0.40) CNR2GPR3MEN1KMT2ANPC1
SCHEMBL12702465 0.79 NR4A1 (0.40) CNR2GPR3MEN1KMT2ANPC1
SCHEMBL23304203 0.75
SCHEMBL25296055 0.75
SCHEMBL30484069 0.75
SCHEMBL23304200 0.75
SCHEMBL29840254 0.75
SCHEMBL23304204 0.75

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-2023059792-A1 CORONAVIRUS NON-STRUCTURAL PROTEIN 3 DEGRADING COMPOUNDS C4 THRAPEUTICS, INC. (US) 2023-04-13 WO disclosed