SCHEMBL19086349

SCHEMBL19086349

CC[C@@H](NC(=O)c1ccc2[nH]ncc2c1)C(=O)N1CCc2sc(C(=O)NCc3ccnc(C)c3)cc2C1

nearest known ligand 0.40

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
MAOB P27338 1/20 0.40
METTL3 Q86U44 1/20 0.39
ROCK2 O75116 7/20 0.39
PRMT5 O14744 9/20 0.36
WDR77 Q9BQA1 9/20 0.36
NAMPT P43490 2/20 0.36
ROCK1 Q13464 2/20 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
SCHEMBL19086205 0.93 MAOB (0.39) MAOBMETTL3ROCK2PRMT5WDR77
SCHEMBL19086994 0.93 MAOB (0.39) MAOBMETTL3ROCK2PRMT5WDR77
SCHEMBL19086985 0.92 PRMT5 (0.41) MAOBMETTL3ROCK2PRMT5WDR77
SCHEMBL19086234 0.91 EPHX2 (0.43) MAOBMETTL3ROCK2PRMT5WDR77
SCHEMBL19085995 0.90 METTL3 (0.41) MAOBMETTL3ROCK2PRMT5WDR77
SCHEMBL19086255 0.90 MEN1 (0.39) MAOBROCK2ROCK1
SCHEMBL19085984 0.90 ROCK2 (0.42) MAOBMETTL3ROCK2PRMT5WDR77
SCHEMBL19085991 0.89 MAOB (0.42) MAOBMETTL3ROCK2PRMT5WDR77
SCHEMBL19085994 0.88 ROCK2 (0.41) MAOBMETTL3ROCK2PRMT5WDR77
SCHEMBL19086351 0.87 MAOB (0.44) MAOBMETTL3ROCK2PRMT5WDR77

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