SCHEMBL19086009

SCHEMBL19086009

CC[C@@H](NC(=O)c1ccc(N)c(C=N)c1)C(=O)N1CCc2sc(C(=O)NCc3ccccc3)cc2C1

nearest known ligand 0.42

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.42
KDM4E B2RXH2 1/20 0.42
MEN1 O00255 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
RXFP1 Q9HBX9 1/20 0.42
PRMT5 O14744 13/20 0.42
WDR77 Q9BQA1 13/20 0.42
HCRTR2 O43614 4/20 0.41
HCRTR1 O43613 2/20 0.39

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
SCHEMBL19086006 0.93 KDM4E (0.38) KMT2AKDM4EMEN1SMN1; SMN2RXFP1
SCHEMBL19086007 0.93 PRMT5 (0.40) KMT2AKDM4EMEN1SMN1; SMN2RXFP1
SCHEMBL19086194 0.93 PRMT5 (0.43) KMT2APRMT5WDR77HCRTR2HCRTR1
SCHEMBL19086211 0.92 PRMT5 (0.42) KMT2AKDM4ESMN1; SMN2PRMT5WDR77
SCHEMBL19086016 0.91 PRMT5 (0.42) KMT2AKDM4EPRMT5WDR77HCRTR2
SCHEMBL19086981 0.88 PRMT5 (0.38) KDM4EPRMT5WDR77
SCHEMBL19086207 0.88 PRMT5 (0.36) KDM4EPRMT5WDR77HCRTR2HCRTR1
SCHEMBL19087006 0.88 PRMT5 (0.38) PRMT5WDR77HCRTR2HCRTR1
SCHEMBL19086335 0.88 HDAC6 (0.39) KMT2APRMT5WDR77HCRTR2
SCHEMBL19086233 0.87 KMT2A (0.50) KMT2APRMT5WDR77HCRTR2HCRTR1

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