SCHEMBL19086232

SCHEMBL19086232

CC[C@@H](NC(=O)c1ccc(N)c(C=N)c1)C(=O)N1CCc2sc(C(=O)NCc3ccnc(OC)c3)cc2C1

nearest known ligand 0.43

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 5/20 0.43
PRMT5 O14744 5/20 0.37
WDR77 Q9BQA1 5/20 0.37
MMP13 P45452 1/20 0.37
HCRTR2 O43614 5/20 0.36
TRPA1 O75762 1/20 0.35
SLC8A1 P32418 1/20 0.34
HCRTR1 O43613 3/20 0.34
KLKB1 P03952 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
SCHEMBL19086207 0.91 PRMT5 (0.36) PRMT5WDR77HCRTR2HCRTR1
SCHEMBL19086016 0.88 PRMT5 (0.42) PRMT5WDR77MMP13HCRTR2HCRTR1
SCHEMBL19086238 0.87 EPHX2 (0.42) EPHX2PRMT5WDR77MMP13TRPA1
SCHEMBL19086007 0.87 PRMT5 (0.40) PRMT5WDR77HCRTR2
SCHEMBL19086009 0.87 KMT2A (0.42) PRMT5WDR77HCRTR2HCRTR1
SCHEMBL19086006 0.86 KDM4E (0.38) PRMT5WDR77
SCHEMBL19086211 0.85 PRMT5 (0.42) PRMT5WDR77HCRTR2HCRTR1
SCHEMBL19087007 0.84 PRMT5 (0.38) PRMT5WDR77
SCHEMBL19086981 0.84 PRMT5 (0.38) PRMT5WDR77
SCHEMBL19086234 0.84 EPHX2 (0.43) EPHX2PRMT5WDR77MMP13HCRTR2

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