SCHEMBL19086040

SCHEMBL19086040

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

nearest known ligand 0.38

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
METTL3 Q86U44 1/20 0.38
PRMT5 O14744 6/20 0.36
WDR77 Q9BQA1 6/20 0.36
ROCK2 O75116 5/20 0.35
ROCK1 Q13464 4/20 0.35
DDR1 Q08345 6/20 0.34
MAOB P27338 1/20 0.34
GRIN2B Q13224 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
SCHEMBL19086036 0.94 ROCK2 (0.37) METTL3PRMT5WDR77ROCK2ROCK1
SCHEMBL19086043 0.93 MAOB (0.36) METTL3PRMT5WDR77ROCK2ROCK1
SCHEMBL19085985 0.90 PRMT5 (0.40) METTL3PRMT5WDR77ROCK2ROCK1
SCHEMBL19086044 0.88 PRMT5 (0.40) METTL3PRMT5WDR77ROCK2MAOB
SCHEMBL19086003 0.88 METTL3 (0.38) METTL3PRMT5WDR77ROCK2ROCK1
SCHEMBL19086042 0.88 PRMT5 (0.38) METTL3PRMT5WDR77DDR1MAOB
SCHEMBL19085995 0.87 METTL3 (0.41) METTL3PRMT5WDR77ROCK2ROCK1
SCHEMBL19085994 0.86 ROCK2 (0.41) METTL3PRMT5WDR77ROCK2ROCK1
SCHEMBL19086041 0.86 ROCK2 (0.40) METTL3PRMT5WDR77ROCK2ROCK1
SCHEMBL19085992 0.86 PRMT5 (0.40) METTL3PRMT5WDR77ROCK2ROCK1

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