SCHEMBL19086038

SCHEMBL19086038

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

nearest known ligand 0.39

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
PRMT5 O14744 14/20 0.39
WDR77 Q9BQA1 14/20 0.39
METTL3 Q86U44 1/20 0.37
ROCK2 O75116 2/20 0.36
ROCK1 Q13464 2/20 0.36
HDAC6 Q9UBN7 3/20 0.36

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
SCHEMBL19086039 0.93 PRMT5 (0.39) PRMT5WDR77METTL3ROCK2ROCK1
SCHEMBL19086037 0.91 RPS6KB1 (0.42) PRMT5WDR77METTL3ROCK2ROCK1
SCHEMBL19085983 0.90 ROCK2 (0.43) PRMT5WDR77ROCK2ROCK1
SCHEMBL19086160 0.89 HDAC6 (0.38) PRMT5WDR77METTL3ROCK2ROCK1
SCHEMBL19085984 0.88 ROCK2 (0.42) PRMT5WDR77METTL3ROCK2ROCK1
SCHEMBL19085991 0.88 MAOB (0.42) PRMT5WDR77METTL3ROCK2ROCK1
SCHEMBL19086985 0.88 PRMT5 (0.41) PRMT5WDR77METTL3ROCK2ROCK1
SCHEMBL19086020 0.87 ROCK2 (0.44) PRMT5WDR77ROCK2ROCK1HDAC6
SCHEMBL19086141 0.87 ROCK2 (0.44) PRMT5WDR77ROCK2ROCK1HDAC6
SCHEMBL19086147 0.87 ROCK2 (0.37) PRMT5WDR77METTL3ROCK2ROCK1

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