SCHEMBL19086007

SCHEMBL19086007

CC[C@@H](NC(=O)c1ccc(N)c(C=N)c1)C(=O)N1CCc2sc(C(=O)NCc3cccc(C)c3)cc2C1

nearest known ligand 0.40

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PRMT5 O14744 13/20 0.40
WDR77 Q9BQA1 13/20 0.40
RXFP1 Q9HBX9 3/20 0.38
KMT2A Q03164 2/20 0.38
KDM4E B2RXH2 2/20 0.38
MEN1 O00255 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
MAPT P10636 1/20 0.37
THRB P10828 1/20 0.37
HCRTR2 O43614 2/20 0.36
ALDH1A1 P00352 1/20 0.36
HPGD P15428 1/20 0.36
HSD17B10 Q99714 1/20 0.36

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) PRMT5WDR77RXFP1KMT2AKDM4E
SCHEMBL19086211 0.92 PRMT5 (0.42) PRMT5WDR77KMT2AKDM4ESMN1; SMN2
SCHEMBL19086016 0.91 PRMT5 (0.42) PRMT5WDR77KMT2AKDM4EMAPT
SCHEMBL19086006 0.89 KDM4E (0.38) PRMT5WDR77RXFP1KMT2AKDM4E
SCHEMBL19086194 0.87 PRMT5 (0.43) PRMT5WDR77KMT2AHCRTR2
SCHEMBL19086232 0.87 EPHX2 (0.43) PRMT5WDR77HCRTR2
SCHEMBL19086207 0.87 PRMT5 (0.36) PRMT5WDR77KDM4EHCRTR2ALDH1A1
SCHEMBL19086981 0.85 PRMT5 (0.38) PRMT5WDR77KDM4EALDH1A1
SCHEMBL19087006 0.85 PRMT5 (0.38) PRMT5WDR77HCRTR2
SCHEMBL19086335 0.85 HDAC6 (0.39) PRMT5WDR77KMT2AHCRTR2

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