SCHEMBL20097060

SCHEMBL20097060

CN(CCC(N)C(=O)O)C[C@H]1OC(n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1O

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EZH2 Q15910 1/20 1.00
SMYD3 Q9H7B4 3/20 0.79
SETD2 Q9BYW2 2/20 0.79
WDR5 P61964 1/20 0.78
KMT2A Q03164 1/20 0.78
RBBP5 Q15291 1/20 0.78
DPY30 Q9C005 1/20 0.78
ASH2L Q9UBL3 1/20 0.78
DOT1L Q8TEK3 5/20 0.77
PRMT1 Q99873 3/20 0.75
TRDMT1 O14717 6/20 0.75
NNMT P40261 2/20 0.72
SMYD2 Q9NRG4 1/20 0.72
CARM1 Q86X55 2/20 0.72
EHMT2 Q96KQ7 2/20 0.72
SETD7 Q8WTS6 2/20 0.71
PRMT5 O14744 1/20 0.71
RNMT O43148 1/20 0.71
INMT O95050 1/20 0.71
NSD2 O96028 1/20 0.71

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
SCHEMBL505843 1.00 EZH2 (1.00) EZH2SMYD3SETD2WDR5KMT2A
SCHEMBL4319361 1.00 EZH2 (1.00) EZH2SMYD3SETD2WDR5KMT2A
SCHEMBL14174648 1.00 EZH2 (1.00) EZH2SMYD3SETD2WDR5KMT2A
SCHEMBL4319379 1.00 EZH2 (1.00) EZH2SMYD3SETD2WDR5KMT2A
SCHEMBL19111331 0.95 EZH2 (0.90) EZH2SMYD3SETD2WDR5KMT2A
SCHEMBL23120178 0.91 WDR5 (0.93) EZH2SMYD3SETD2WDR5KMT2A
SCHEMBL25434994 0.90 EZH2 (0.81) EZH2SMYD3SETD2WDR5KMT2A
SCHEMBL19111319 0.90 EZH2 (0.81) EZH2SMYD3SETD2WDR5KMT2A
SCHEMBL23120131 0.89 SMYD3 (0.87) EZH2SMYD3SETD2WDR5KMT2A
SCHEMBL13986292 0.89 SMYD3 (1.00) EZH2SMYD3SETD2WDR5KMT2A

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-2018075947-A1 METHODS AND COMPOSITIONS FOR THE TREATMENT OF RNA VIRAL INFECTIONS THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2018-04-26 WO disclosed