SCHEMBL24329216

SCHEMBL24329216

Nc1nccc2cccc(Br)c12

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BACE1 P56817 3/20 0.48
NOS3 P29474 3/20 0.48
NOS1 P29475 3/20 0.48
NOS2 P35228 3/20 0.48
PLAU P00749 2/20 0.48
F12 P00748 2/20 0.48
NCF1 P14598 1/20 0.48
CLK1 P49759 2/20 0.42
CDK5 Q00535 2/20 0.42
CDK5R1 Q15078 2/20 0.42
CSNK2A1 P68400 2/20 0.39
HIPK2 Q9H2X6 1/20 0.38
MAOA P21397 1/20 0.36
MAP4K4 O95819 1/20 0.36
GSK3B P49841 1/20 0.36
DYRK1A Q13627 1/20 0.36
FGFR1 P11362 1/20 0.35
PLG P00747 1/20 0.34
F11 P03951 1/20 0.34
KLKB1 P03952 1/20 0.34

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
SCHEMBL637579 0.79 NOS3 (0.52) BACE1NOS3NOS1NOS2PLAU
SCHEMBL27374190 0.76 PLAU (0.48) BACE1NOS3NOS1NOS2PLAU
SCHEMBL20974756 0.76 CYP2A6 (0.48) BACE1NOS3NOS1NOS2PLAU
SCHEMBL17152698 0.76 F12 (0.48) BACE1NOS3NOS1NOS2PLAU
SCHEMBL10030932 0.76 LMNA (0.39) BACE1NOS3NOS1NOS2PLAU
SCHEMBL31281062 0.74 CDK9 (0.42) CLK1CDK5CDK5R1MAOADYRK1A
SCHEMBL24317326 0.74 CDK9 (0.42) CLK1CDK5CDK5R1MAOADYRK1A
SCHEMBL29129392 0.73 CSNK2A1 (0.38) BACE1NOS3NOS1NOS2PLAU
SCHEMBL29374267 0.72 ALDH1A1 (0.53) BACE1NOS1
SCHEMBL1187339 0.72 ALDH1A1 (0.53) BACE1NOS1

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-2022081928-A1 TRICYCLIC HETEROBIFUNCTIONAL COMPOUNDS FOR DEGRADATION OF TARGETED PROTEINS C4 THERAPEUTICS, INC. (US) 2022-04-21 WO disclosed