SCHEMBL19086194

SCHEMBL19086194

CC[C@@H](NC(=O)c1ccc(N)c(C=N)c1)C(=O)N1CCc2sc(C(=O)NCCc3ccccc3)cc2C1

nearest known ligand 0.43

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
PRMT5 O14744 13/20 0.43
WDR77 Q9BQA1 13/20 0.43
KMT2A Q03164 1/20 0.41
HCRTR2 O43614 5/20 0.41
HCRTR1 O43613 3/20 0.38

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
SCHEMBL19086009 0.93 KMT2A (0.42) PRMT5WDR77KMT2AHCRTR2HCRTR1
SCHEMBL19086201 0.88 PRMT5 (0.40) PRMT5WDR77
SCHEMBL19086007 0.87 PRMT5 (0.40) PRMT5WDR77KMT2AHCRTR2
SCHEMBL19086211 0.86 PRMT5 (0.42) PRMT5WDR77KMT2AHCRTR2HCRTR1
SCHEMBL19086335 0.86 HDAC6 (0.39) PRMT5WDR77KMT2AHCRTR2
SCHEMBL19086006 0.86 KDM4E (0.38) PRMT5WDR77KMT2A
SCHEMBL19086233 0.86 KMT2A (0.50) PRMT5WDR77KMT2AHCRTR2HCRTR1
SCHEMBL19086016 0.85 PRMT5 (0.42) PRMT5WDR77KMT2AHCRTR2HCRTR1
SCHEMBL19086189 0.85 PRMT5 (0.48) PRMT5WDR77
SCHEMBL19086184 0.84 HDAC6 (0.37) PRMT5WDR77HCRTR2

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