SCHEMBL19086010

SCHEMBL19086010

CC[C@@H](NC(=O)c1cc(C=N)c(N)cc1OC)C(=O)N1CCc2sc(C(=O)NCc3cc(F)ccc3C)cc2C1

nearest known ligand 0.36

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
PRMT5 O14744 7/20 0.36
WDR77 Q9BQA1 7/20 0.36
USP2 O75604 1/20 0.35
KDM1A O60341 5/20 0.34
HCRTR2 O43614 4/20 0.34
HDAC6 Q9UBN7 5/20 0.33
ALDH1A1 P00352 2/20 0.33
HCRTR1 O43613 2/20 0.33
KDM4E B2RXH2 1/20 0.33
LMNA P02545 1/20 0.32

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 0.89 PRMT5 (0.41) PRMT5WDR77KDM1AHDAC6ALDH1A1
SCHEMBL19085975 0.84 PRMT5 (0.37) PRMT5WDR77USP2KDM1AHCRTR2
SCHEMBL19086242 0.79 KDM1A (0.41) PRMT5WDR77KDM1AHCRTR2HDAC6
SCHEMBL19087006 0.79 PRMT5 (0.38) PRMT5WDR77KDM1AHCRTR2HDAC6
SCHEMBL19086008 0.78 KDM1A (0.42) PRMT5WDR77KDM1AHDAC6ALDH1A1
SCHEMBL19086211 0.77 PRMT5 (0.42) PRMT5WDR77KDM1AHCRTR2ALDH1A1
SCHEMBL19087007 0.76 PRMT5 (0.38) PRMT5WDR77HDAC6
SCHEMBL19086011 0.76 KDM1A (0.43) PRMT5WDR77KDM1AHCRTR2HDAC6
SCHEMBL19085992 0.76 PRMT5 (0.40) PRMT5WDR77
SCHEMBL19085997 0.76 PRMT5 (0.40) PRMT5WDR77

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