SCHEMBL19085985

SCHEMBL19085985

CC[C@@H](NC(=O)c1ccc2[nH]ncc2c1)C(=O)N1CCc2sc(C(=O)NCc3ccccc3F)cc2C1

nearest known ligand 0.40

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
PRMT5 O14744 14/20 0.40
WDR77 Q9BQA1 14/20 0.40
GRIN2B Q13224 1/20 0.40
ROCK2 O75116 3/20 0.38
ROCK1 Q13464 3/20 0.38
METTL3 Q86U44 1/20 0.38
GAA P10253 1/20 0.37

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
SCHEMBL19086036 0.93 ROCK2 (0.37) PRMT5WDR77GRIN2BROCK2ROCK1
SCHEMBL19086003 0.92 METTL3 (0.38) PRMT5WDR77ROCK2ROCK1METTL3
SCHEMBL19086986 0.92 PRMT5 (0.38) PRMT5WDR77ROCK2ROCK1METTL3
SCHEMBL19086044 0.91 PRMT5 (0.40) PRMT5WDR77ROCK2METTL3
SCHEMBL19085984 0.90 ROCK2 (0.42) PRMT5WDR77ROCK2ROCK1METTL3
SCHEMBL19086002 0.90 PRMT5 (0.38) PRMT5WDR77ROCK2ROCK1METTL3
SCHEMBL19086040 0.90 METTL3 (0.38) PRMT5WDR77GRIN2BROCK2ROCK1
SCHEMBL19085992 0.89 PRMT5 (0.40) PRMT5WDR77ROCK2ROCK1METTL3
SCHEMBL19085997 0.89 PRMT5 (0.40) PRMT5WDR77ROCK2ROCK1METTL3
SCHEMBL19086043 0.89 MAOB (0.36) PRMT5WDR77ROCK2ROCK1METTL3

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