SCHEMBL30683036

SCHEMBL30683036

N#Cc1ccc(Br)cc1CO

nearest known ligand 0.46

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
NOS3 P29474 1/20 0.46
NOS1 P29475 1/20 0.46
NOS2 P35228 1/20 0.46
MAOB P27338 3/20 0.42
MAOA P21397 2/20 0.42
PTGDR2 Q9Y5Y4 1/20 0.41
SLC6A2 P23975 1/20 0.36
SLC6A4 P31645 1/20 0.36
CSNK2A1 P68400 1/20 0.34
NPC1 O15118 1/20 0.34
SMN1; SMN2 Q16637 2/20 0.33
SLC22A12 Q96S37 2/20 0.33
GAA P10253 1/20 0.33
CYP11B1 P15538 1/20 0.33
CYP11B2 P19099 1/20 0.33
AAK1 Q2M2I8 1/20 0.33

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
SCHEMBL16955085 1.00 NOS3 (0.46) NOS3NOS1NOS2MAOBMAOA
SCHEMBL31434232 0.84 MAOB (0.40) NOS3NOS1NOS2MAOBMAOA
SCHEMBL307884 0.82 NOS3 (0.47) NOS3NOS1NOS2MAOBMAOA
SCHEMBL1519547 0.80 CSNK2A1 (0.49) NOS3NOS1NOS2MAOBMAOA
SCHEMBL12317793 0.80 NOS3 (0.46) NOS3NOS1NOS2MAOBMAOA
SCHEMBL1366457 0.80 NOS3 (0.49) NOS3NOS1NOS2MAOBMAOA
SCHEMBL31256059 0.78 NOS3 (0.44) NOS3NOS1NOS2MAOBMAOA
SCHEMBL16897461 0.78 NOS3 (0.44) NOS3NOS1NOS2MAOBMAOA
SCHEMBL16961104 0.78 CA2 (0.38) PTGDR2
SCHEMBL13570672 0.77 NOS3 (0.47) NOS3NOS1NOS2MAOBMAOA

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-2023239645-A1 SMARCA DEGRADERS AND USES THEREOF KYMERA THERAPEUTICS, INC. (US) 2023-12-14 WO disclosed