SCHEMBL9970730

SCHEMBL9970730

CCN(CCCNC(=O)Nc1ccc(C(C)(C)C)cc1)C[C@H]1OC(n2cnc3c(N)ncnc32)[C@@H]2OC(C)(C)O[C@H]12

nearest known ligand 0.67

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
DOT1L Q8TEK3 18/20 0.67
DNMT1 P26358 1/20 0.65
PI4KA P42356 1/20 0.52
PI4K2B Q8TCG2 1/20 0.52
PI4K2A Q9BTU6 1/20 0.52
PI4KB Q9UBF8 1/20 0.52
PRMT5 O14744 1/20 0.52
PRMT7 Q9NVM4 1/20 0.52

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
SCHEMBL9940827 1.00 DOT1L (0.67) DOT1LDNMT1PI4KAPI4K2BPI4K2A
SCHEMBL15395708 0.96 DOT1L (0.66) DOT1LDNMT1PI4KAPI4K2BPI4K2A
SCHEMBL16705100 0.96 DOT1L (0.67) DOT1LDNMT1PI4KAPI4K2BPI4K2A
SCHEMBL9970707 0.96 DOT1L (0.67) DOT1LDNMT1PI4KAPI4K2BPI4K2A
SCHEMBL9937520 0.95 DOT1L (0.67) DOT1LDNMT1PI4KAPI4K2BPI4K2A
SCHEMBL9940507 0.95 DOT1L (0.66) DOT1LDNMT1PI4KAPI4K2BPI4K2A
SCHEMBL15395688 0.94 DOT1L (0.66) DOT1LDNMT1PRMT5PRMT7
SCHEMBL15389762 0.94 DOT1L (0.64) DOT1LDNMT1PI4KAPI4K2BPI4K2A
SCHEMBL9970644 0.94 DOT1L (0.64) DOT1LDNMT1PI4KAPI4K2BPI4K2A
SCHEMBL9940499 0.94 DOT1L (0.64) DOT1LDNMT1PI4KAPI4K2BPI4K2A

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