SCHEMBL9970243

SCHEMBL9970243

CC(C)N(CCCCNC(=O)OCc1ccccc1)C[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@@H]2OC(C)(C)O[C@@H]21

nearest known ligand 0.76

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DOT1L Q8TEK3 8/20 0.76
PI4KA P42356 1/20 0.51
PI4K2B Q8TCG2 1/20 0.51
PI4K2A Q9BTU6 1/20 0.51
PI4KB Q9UBF8 1/20 0.51
DNMT1 P26358 1/20 0.51
RXFP1 Q9HBX9 1/20 0.49
PRKACA P17612 3/20 0.47
AHCY P23526 1/20 0.47
P2RX1 P51575 1/20 0.46
P2RX3 P56373 1/20 0.46
P2RX4 Q99571 1/20 0.46
WDR5 P61964 1/20 0.44
KMT2A Q03164 1/20 0.44
RBBP5 Q15291 1/20 0.44
DPY30 Q9C005 1/20 0.44
ASH2L Q9UBL3 1/20 0.44
GNMT Q14749 1/20 0.44
CARM1 Q86X55 1/20 0.43
TRDMT1 O14717 1/20 0.43

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
SCHEMBL9970625 0.95 DOT1L (0.73) DOT1LPI4KAPI4K2BPI4K2API4KB
SCHEMBL9970636 0.91 DOT1L (0.63) DOT1LPI4KAPI4K2BPI4K2API4KB
SCHEMBL9936960 0.90 DOT1L (0.63) DOT1LPI4KAPI4K2BPI4K2API4KB
SCHEMBL9940849 0.88 DOT1L (0.59) DOT1LPI4KAPI4K2BPI4K2API4KB
SCHEMBL9970202 0.88 DOT1L (0.61) DOT1LPI4KAPI4K2BPI4K2API4KB
SCHEMBL15829716 0.88 DOT1L (0.61) DOT1LPI4KAPI4K2BPI4K2API4KB
SCHEMBL15829364 0.88 DOT1L (0.61) DOT1LPI4KAPI4K2BPI4K2API4KB
SCHEMBL9970708 0.87 DOT1L (0.61) DOT1LPI4KAPI4K2BPI4K2API4KB
SCHEMBL15395645 0.87 DOT1L (0.59) DOT1LPI4KAPI4K2BPI4K2API4KB
SCHEMBL15598668 0.87 DOT1L (0.58) DOT1LPI4KAPI4K2BPI4K2API4KB

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-2012082436-A2 MODULATORS OF HISTONE METHYLTRANSFERASE, AND METHODS OF USE THEREOF Epizyme, Inc. (US) 2012-06-21 WO disclosed