SCHEMBL19085995

SCHEMBL19085995

CC[C@@H](NC(=O)c1ccc2[nH]ncc2c1)C(=O)N1CCc2sc(C(=O)NCc3cccc(C)c3)cc2C1

nearest known ligand 0.41

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
METTL3 Q86U44 1/20 0.41
ROCK2 O75116 7/20 0.41
MAOB P27338 1/20 0.40
PRMT5 O14744 6/20 0.40
WDR77 Q9BQA1 6/20 0.40
RXFP1 Q9HBX9 2/20 0.38
KDM4E B2RXH2 1/20 0.38
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
ROCK1 Q13464 1/20 0.37
MAPT P10636 1/20 0.36
THRB P10828 1/20 0.36
DDR1 Q08345 1/20 0.36
NAMPT P43490 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
SCHEMBL19085984 0.93 ROCK2 (0.42) METTL3ROCK2MAOBPRMT5WDR77
SCHEMBL19085994 0.93 ROCK2 (0.41) METTL3ROCK2MAOBPRMT5WDR77
SCHEMBL19085996 0.91 ROCK2 (0.53) ROCK2PRMT5WDR77ROCK1MAPT
SCHEMBL19085976 0.91 DDR2 (0.46) METTL3ROCK2MAOBPRMT5WDR77
SCHEMBL19086349 0.90 MAOB (0.40) METTL3ROCK2MAOBPRMT5WDR77
SCHEMBL19085991 0.90 MAOB (0.42) METTL3ROCK2MAOBPRMT5WDR77
SCHEMBL19086985 0.90 PRMT5 (0.41) METTL3ROCK2MAOBPRMT5WDR77
SCHEMBL19086044 0.88 PRMT5 (0.40) METTL3ROCK2MAOBPRMT5WDR77
SCHEMBL19086234 0.88 EPHX2 (0.43) METTL3ROCK2MAOBPRMT5WDR77
SCHEMBL19086994 0.88 MAOB (0.39) METTL3ROCK2MAOBPRMT5WDR77

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