SCHEMBL19086044

SCHEMBL19086044

CC[C@@H](NC(=O)c1ccc2[nH]ncc2c1)C(=O)N1CCc2sc(C(=O)NCc3cccc4ccccc34)cc2C1

nearest known ligand 0.40

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
PRMT5 O14744 16/20 0.40
WDR77 Q9BQA1 16/20 0.40
CSNK1D P48730 1/20 0.40
METTL3 Q86U44 1/20 0.38
MAOB P27338 1/20 0.36
ROCK2 O75116 1/20 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
SCHEMBL19086036 0.93 ROCK2 (0.37) PRMT5WDR77METTL3MAOBROCK2
SCHEMBL19086042 0.92 PRMT5 (0.38) PRMT5WDR77METTL3MAOB
SCHEMBL19086041 0.92 ROCK2 (0.40) PRMT5WDR77METTL3MAOBROCK2
SCHEMBL19085985 0.91 PRMT5 (0.40) PRMT5WDR77METTL3ROCK2
SCHEMBL19085984 0.91 ROCK2 (0.42) PRMT5WDR77METTL3MAOBROCK2
SCHEMBL19085995 0.88 METTL3 (0.41) PRMT5WDR77METTL3MAOBROCK2
SCHEMBL19086002 0.88 PRMT5 (0.38) PRMT5WDR77METTL3ROCK2
SCHEMBL19085994 0.88 ROCK2 (0.41) PRMT5WDR77METTL3MAOBROCK2
SCHEMBL19086040 0.88 METTL3 (0.38) PRMT5WDR77METTL3MAOBROCK2
SCHEMBL19086003 0.88 METTL3 (0.38) PRMT5WDR77METTL3MAOBROCK2

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