SCHEMBL19086006

SCHEMBL19086006

CC[C@@H](NC(=O)c1ccc(N)c(C=N)c1)C(=O)N1CCc2sc(C(=O)NCc3ccc(O)cc3)cc2C1

nearest known ligand 0.38

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.38
ALDH1A1 P00352 2/20 0.38
PRMT5 O14744 14/20 0.37
WDR77 Q9BQA1 14/20 0.37
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
RXFP1 Q9HBX9 1/20 0.36
LNPEP Q9UIQ6 1/20 0.36
LMNA P02545 1/20 0.36
HDAC6 Q9UBN7 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) KDM4EPRMT5WDR77MEN1KMT2A
SCHEMBL19086007 0.89 PRMT5 (0.40) KDM4EALDH1A1PRMT5WDR77MEN1
SCHEMBL19086211 0.89 PRMT5 (0.42) KDM4EALDH1A1PRMT5WDR77KMT2A
SCHEMBL19086207 0.87 PRMT5 (0.36) KDM4EALDH1A1PRMT5WDR77LMNA
SCHEMBL19086981 0.87 PRMT5 (0.38) KDM4EALDH1A1PRMT5WDR77LMNA
SCHEMBL19086016 0.87 PRMT5 (0.42) KDM4EALDH1A1PRMT5WDR77KMT2A
SCHEMBL19087006 0.87 PRMT5 (0.38) PRMT5WDR77HDAC6
SCHEMBL19086335 0.87 HDAC6 (0.39) PRMT5WDR77KMT2AHDAC6
SCHEMBL19086232 0.86 EPHX2 (0.43) PRMT5WDR77
SCHEMBL19086194 0.86 PRMT5 (0.43) PRMT5WDR77KMT2A

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