SCHEMBL8063448

SCHEMBL8063448

CC(C)[C@H](NC(=O)[C@H](CC(=O)OC(C)(C)C)NC(=O)CNC(=O)c1csc(NC(=O)NCc2ccccc2)n1)C(=O)OC(C)(C)C

nearest known ligand 0.39

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ROCK2 O75116 2/20 0.39
ROCK1 Q13464 2/20 0.39
BACE1 P56817 8/20 0.38
PSMB8 P28062 1/20 0.38
PSMB5 P28074 1/20 0.38
MAPT P10636 3/20 0.36
TDP1 Q9NUW8 1/20 0.36
NPSR1 Q6W5P4 2/20 0.36
ALDH1A1 P00352 1/20 0.36
MEN1 O00255 1/20 0.36
POLB P06746 1/20 0.36
KMT2A Q03164 1/20 0.36
ELANE P08246 1/20 0.36
MAPK1 P28482 1/20 0.35
GLS O94925 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
SCHEMBL27510568 1.00 ROCK2 (0.39) ROCK2ROCK1BACE1PSMB8PSMB5
SCHEMBL7139827 0.95 ROCK2 (0.39) ROCK2ROCK1BACE1PSMB8PSMB5
SCHEMBL7139835 0.95 ROCK2 (0.39) ROCK2ROCK1BACE1PSMB8PSMB5
SCHEMBL8051508 0.92 ROCK2 (0.43) ROCK2ROCK1MAPTTDP1NPSR1
SCHEMBL8063417 0.91 ROCK2 (0.43) ROCK2ROCK1PSMB8PSMB5MEN1
SCHEMBL8051485 0.90 ROCK2 (0.39) ROCK2ROCK1PSMB8PSMB5MAPT
SCHEMBL8062348 0.89 ROCK2 (0.41) ROCK2ROCK1PSMB8PSMB5MAPT
SCHEMBL8063451 0.89 ROCK2 (0.37) ROCK2ROCK1BACE1PSMB8PSMB5
SCHEMBL8063461 0.86 ROCK2 (0.38) ROCK2ROCK1BACE1PSMB8PSMB5
SCHEMBL8063457 0.86 ROCK2 (0.38) ROCK2ROCK1BACE1PSMB8PSMB5

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6100282-A Thiazole derivatives HOFFMAN-LA ROCHE INC. (US) 2000-08-08 US disclosed
CN-1224718-A Thiazole derivatives HOFFMANN LA ROCHE (CH) 1999-08-04 CN disclosed