SCHEMBL19086201

SCHEMBL19086201

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

nearest known ligand 0.40

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
PRMT5 O14744 16/20 0.40
WDR77 Q9BQA1 16/20 0.40
HDAC6 Q9UBN7 2/20 0.36
NAMPT P43490 1/20 0.36
KDM4E B2RXH2 1/20 0.34
ALDH1A1 P00352 1/20 0.34
GAA P10253 1/20 0.34
HPGD P15428 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
SCHEMBL19086194 0.88 PRMT5 (0.43) PRMT5WDR77
SCHEMBL19086335 0.88 HDAC6 (0.39) PRMT5WDR77HDAC6NAMPT
SCHEMBL19086009 0.87 KMT2A (0.42) PRMT5WDR77KDM4E
SCHEMBL19086006 0.86 KDM4E (0.38) PRMT5WDR77HDAC6KDM4EALDH1A1
SCHEMBL19086203 0.85 PRMT5 (0.40) PRMT5WDR77HDAC6NAMPTKDM4E
SCHEMBL19086206 0.85 HDAC6 (0.38) PRMT5WDR77HDAC6
SCHEMBL19086184 0.85 HDAC6 (0.37) PRMT5WDR77HDAC6GAA
SCHEMBL19087006 0.85 PRMT5 (0.38) PRMT5WDR77HDAC6
SCHEMBL19086007 0.84 PRMT5 (0.40) PRMT5WDR77KDM4EALDH1A1HPGD
SCHEMBL19086241 0.84 HDAC6 (0.36) PRMT5WDR77HDAC6

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