SCHEMBL19086002

SCHEMBL19086002

CC[C@@H](NC(=O)c1ccc2[nH]ncc2c1)C(=O)N1CCc2sc(C(=O)NCc3cccc(C(F)(F)F)c3F)cc2C1

nearest known ligand 0.38

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PRMT5 O14744 7/20 0.38
WDR77 Q9BQA1 7/20 0.38
EPHX2 P34913 1/20 0.37
PPARG P37231 1/20 0.37
ENPP2 Q13822 1/20 0.36
CTNNB1 P35222 1/20 0.36
WNT3A P56704 1/20 0.36
METTL3 Q86U44 1/20 0.36
ROCK2 O75116 2/20 0.36
ROCK1 Q13464 2/20 0.36
CHRM5 P08912 1/20 0.35
DDR1 Q08345 5/20 0.35
ABL1 P00519 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
SCHEMBL19086042 0.93 PRMT5 (0.38) PRMT5WDR77ENPP2CTNNB1WNT3A
SCHEMBL19085985 0.90 PRMT5 (0.40) PRMT5WDR77METTL3ROCK2ROCK1
SCHEMBL19086036 0.89 ROCK2 (0.37) PRMT5WDR77METTL3ROCK2ROCK1
SCHEMBL19086044 0.88 PRMT5 (0.40) PRMT5WDR77METTL3ROCK2
SCHEMBL19086003 0.88 METTL3 (0.38) PRMT5WDR77METTL3ROCK2ROCK1
SCHEMBL19085976 0.88 DDR2 (0.46) PRMT5WDR77ENPP2METTL3ROCK2
SCHEMBL19085994 0.87 ROCK2 (0.41) PRMT5WDR77METTL3ROCK2ROCK1
SCHEMBL19085992 0.86 PRMT5 (0.40) PRMT5WDR77METTL3ROCK2ROCK1
SCHEMBL19085997 0.86 PRMT5 (0.40) PRMT5WDR77METTL3ROCK2ROCK1
SCHEMBL19086986 0.86 PRMT5 (0.38) 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