SCHEMBL19086251

SCHEMBL19086251

CC[C@@H](NC(=O)c1ccc2[nH]ncc2c1)C(=O)N1CCc2sc(C(=O)NCc3ccncc3C)cc2C1

nearest known ligand 0.39

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
METTL3 Q86U44 1/20 0.39
PRMT5 O14744 11/20 0.38
WDR77 Q9BQA1 11/20 0.38
MAOB P27338 1/20 0.35
ESR1 P03372 2/20 0.34
ROCK2 O75116 2/20 0.34
F10 P00742 2/20 0.34
HDAC6 Q9UBN7 1/20 0.33

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
SCHEMBL19086986 0.93 PRMT5 (0.38) METTL3PRMT5WDR77MAOBROCK2
SCHEMBL19086985 0.90 PRMT5 (0.41) METTL3PRMT5WDR77MAOBROCK2
SCHEMBL19085992 0.89 PRMT5 (0.40) METTL3PRMT5WDR77ROCK2
SCHEMBL19085997 0.89 PRMT5 (0.40) METTL3PRMT5WDR77ROCK2
SCHEMBL19086260 0.88 METTL3 (0.38) METTL3PRMT5WDR77MAOBROCK2
SCHEMBL19086003 0.88 METTL3 (0.38) METTL3PRMT5WDR77MAOBROCK2
SCHEMBL19085985 0.87 PRMT5 (0.40) METTL3PRMT5WDR77ROCK2
SCHEMBL19085984 0.87 ROCK2 (0.42) METTL3PRMT5WDR77MAOBROCK2
SCHEMBL19086349 0.86 MAOB (0.40) METTL3PRMT5WDR77MAOBROCK2
SCHEMBL19086044 0.86 PRMT5 (0.40) METTL3PRMT5WDR77MAOBROCK2

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