SCHEMBL19086036

SCHEMBL19086036

CC[C@@H](NC(=O)c1ccc2[nH]ncc2c1)C(=O)N1CCc2sc(C(=O)NCc3cccc4c(F)cccc34)cc2C1

nearest known ligand 0.37

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
ROCK2 O75116 7/20 0.37
ROCK1 Q13464 5/20 0.37
PRMT5 O14744 6/20 0.37
WDR77 Q9BQA1 6/20 0.37
GRIN2B Q13224 1/20 0.36
METTL3 Q86U44 1/20 0.36
DDR1 Q08345 4/20 0.35
MAOB P27338 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
SCHEMBL19086040 0.94 METTL3 (0.38) ROCK2ROCK1PRMT5WDR77GRIN2B
SCHEMBL19085985 0.93 PRMT5 (0.40) ROCK2ROCK1PRMT5WDR77GRIN2B
SCHEMBL19086043 0.93 MAOB (0.36) ROCK2ROCK1PRMT5WDR77METTL3
SCHEMBL19086044 0.93 PRMT5 (0.40) ROCK2PRMT5WDR77METTL3MAOB
SCHEMBL19086042 0.92 PRMT5 (0.38) PRMT5WDR77METTL3DDR1MAOB
SCHEMBL19086041 0.91 ROCK2 (0.40) ROCK2ROCK1PRMT5WDR77METTL3
SCHEMBL19086003 0.90 METTL3 (0.38) ROCK2ROCK1PRMT5WDR77METTL3
SCHEMBL19086002 0.89 PRMT5 (0.38) ROCK2ROCK1PRMT5WDR77METTL3
SCHEMBL19085994 0.89 ROCK2 (0.41) ROCK2ROCK1PRMT5WDR77METTL3
SCHEMBL19086986 0.88 PRMT5 (0.38) ROCK2ROCK1PRMT5WDR77METTL3

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