SCHEMBL19086043

SCHEMBL19086043

CC[C@@H](NC(=O)c1ccc2[nH]ncc2c1)C(=O)N1CCc2sc(C(=O)NCc3cc(Cl)cc4c(F)cccc34)cc2C1

nearest known ligand 0.36

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
MAOB P27338 1/20 0.36
PRMT5 O14744 6/20 0.36
WDR77 Q9BQA1 6/20 0.36
ROCK2 O75116 9/20 0.36
ROCK1 Q13464 8/20 0.36
DDR1 Q08345 2/20 0.34
METTL3 Q86U44 1/20 0.34
KLKB1 P03952 1/20 0.34
MAP4K1 Q92918 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
SCHEMBL19086040 0.93 METTL3 (0.38) MAOBPRMT5WDR77ROCK2ROCK1
SCHEMBL19086036 0.93 ROCK2 (0.37) MAOBPRMT5WDR77ROCK2ROCK1
SCHEMBL19085985 0.89 PRMT5 (0.40) PRMT5WDR77ROCK2ROCK1METTL3
SCHEMBL19085994 0.87 ROCK2 (0.41) MAOBPRMT5WDR77ROCK2ROCK1
SCHEMBL19086044 0.87 PRMT5 (0.40) MAOBPRMT5WDR77ROCK2METTL3
SCHEMBL19086003 0.87 METTL3 (0.38) MAOBPRMT5WDR77ROCK2ROCK1
SCHEMBL19086042 0.87 PRMT5 (0.38) MAOBPRMT5WDR77DDR1METTL3
SCHEMBL19085979 0.86 MAOB (0.41) MAOBPRMT5WDR77ROCK2ROCK1
SCHEMBL19086041 0.86 ROCK2 (0.40) MAOBPRMT5WDR77ROCK2ROCK1
SCHEMBL19086986 0.85 PRMT5 (0.38) MAOBPRMT5WDR77ROCK2ROCK1

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-2017114275-A1 COMPOUND FOR INHIBITING ROCK, PREPARATION METHOD AND USE OF SAME 成都先导药物开发有限公司 2017-07-06 WO disclosed