SCHEMBL19087006

SCHEMBL19087006

CC[C@@H](NC(=O)c1ccc(N)c(C=N)c1)C(=O)N1CCc2sc(C(=O)NCc3cc(F)c(F)cc3F)cc2C1

nearest known ligand 0.38

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
PRMT5 O14744 14/20 0.38
WDR77 Q9BQA1 14/20 0.38
KDM1A O60341 4/20 0.37
HDAC6 Q9UBN7 4/20 0.35
HCRTR1 O43613 1/20 0.35
HCRTR2 O43614 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
SCHEMBL19086261 0.90 PRMT5 (0.41) PRMT5WDR77KDM1AHDAC6
SCHEMBL19086188 0.88 PRMT5 (0.39) PRMT5WDR77HDAC6
SCHEMBL19086009 0.88 KMT2A (0.42) PRMT5WDR77HCRTR1HCRTR2
SCHEMBL19086211 0.87 PRMT5 (0.42) PRMT5WDR77KDM1AHCRTR1HCRTR2
SCHEMBL19086006 0.87 KDM4E (0.38) PRMT5WDR77HDAC6
SCHEMBL19087007 0.86 PRMT5 (0.38) PRMT5WDR77HDAC6
SCHEMBL19086207 0.86 PRMT5 (0.36) PRMT5WDR77HDAC6HCRTR1HCRTR2
SCHEMBL19086981 0.86 PRMT5 (0.38) PRMT5WDR77KDM1A
SCHEMBL19086335 0.86 HDAC6 (0.39) PRMT5WDR77HDAC6HCRTR2
SCHEMBL19086007 0.85 PRMT5 (0.40) 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