Sugi Predict

Sugi Predict / Compounds / SCHEMBL19086037

SCHEMBL19086037

SCHEMBL19086037

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

nearest known ligand 0.42

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ RPS6KB1 P23443 4/20 0.42
▸ PRMT5 O14744 10/20 0.39
▸ WDR77 Q9BQA1 10/20 0.39
▸ ROCK2 O75116 4/20 0.38
▸ ROCK1 Q13464 3/20 0.38
▸ METTL3 Q86U44 1/20 0.36
▸ HDAC6 Q9UBN7 1/20 0.35

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
SCHEMBL19086038 0.91 PRMT5 (0.39) PRMT5WDR77ROCK2ROCK1METTL3
SCHEMBL19086039 0.91 PRMT5 (0.39) PRMT5WDR77ROCK2ROCK1METTL3
SCHEMBL19086147 0.89 ROCK2 (0.37) PRMT5WDR77ROCK2ROCK1METTL3
SCHEMBL19085983 0.89 ROCK2 (0.43) PRMT5WDR77ROCK2ROCK1
SCHEMBL19086160 0.87 HDAC6 (0.38) PRMT5WDR77ROCK2ROCK1METTL3
SCHEMBL19085984 0.87 ROCK2 (0.42) PRMT5WDR77ROCK2ROCK1METTL3
SCHEMBL19086163 0.87 METTL3 (0.37) PRMT5WDR77ROCK2ROCK1METTL3
SCHEMBL19085991 0.86 MAOB (0.42) PRMT5WDR77ROCK2ROCK1METTL3
SCHEMBL19086985 0.86 PRMT5 (0.41) PRMT5WDR77ROCK2ROCK1METTL3
SCHEMBL19086141 0.86 ROCK2 (0.44) RPS6KB1PRMT5WDR77ROCK2ROCK1

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