SCHEMBL19086261

SCHEMBL19086261

CCC(NC(=O)c1ccc(N)c(C=N)c1)C(=O)N1CCc2sc(C(=O)NCc3cc(F)ccc3C)cc2C1

nearest known ligand 0.41

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
PRMT5 O14744 15/20 0.41
WDR77 Q9BQA1 15/20 0.41
KDM1A O60341 4/20 0.36
KDM4E B2RXH2 1/20 0.35
ALDH1A1 P00352 1/20 0.35
HDAC6 Q9UBN7 3/20 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
SCHEMBL19087006 0.90 PRMT5 (0.38) PRMT5WDR77KDM1AHDAC6
SCHEMBL19086008 0.89 KDM1A (0.42) PRMT5WDR77KDM1AALDH1A1HDAC6
SCHEMBL19086010 0.89 PRMT5 (0.36) PRMT5WDR77KDM1AKDM4EALDH1A1
SCHEMBL19086211 0.88 PRMT5 (0.42) PRMT5WDR77KDM1AKDM4EALDH1A1
SCHEMBL19087007 0.87 PRMT5 (0.38) PRMT5WDR77HDAC6
SCHEMBL19086188 0.86 PRMT5 (0.39) PRMT5WDR77HDAC6
SCHEMBL19086009 0.86 KMT2A (0.42) PRMT5WDR77KDM4E
SCHEMBL19086981 0.86 PRMT5 (0.38) PRMT5WDR77KDM1AKDM4EALDH1A1
SCHEMBL19086006 0.85 KDM4E (0.38) PRMT5WDR77KDM4EALDH1A1HDAC6
SCHEMBL19086007 0.85 PRMT5 (0.40) PRMT5WDR77KDM4EALDH1A1

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