SCHEMBL9936952

SCHEMBL9936952

COC(=O)CCCCNCc1cccc(C[C@H]2O[C@@H](n3cnc4c(N)ncnc43)[C@@H]3OC(C)(C)O[C@@H]32)c1

nearest known ligand 0.55

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PI4KA P42356 1/20 0.55
PI4K2B Q8TCG2 1/20 0.55
PI4K2A Q9BTU6 1/20 0.55
PI4KB Q9UBF8 1/20 0.55
CARM1 Q86X55 5/20 0.52
PRMT7 Q9NVM4 2/20 0.52
PRMT5 O14744 1/20 0.52
PRMT3 O60678 1/20 0.52
PRMT6 Q96LA8 1/20 0.52
PRMT1 Q99873 1/20 0.52
WDR77 Q9BQA1 1/20 0.52
PRMT8 Q9NR22 1/20 0.52
RXFP1 Q9HBX9 1/20 0.51
P2RX1 P51575 1/20 0.49
P2RX3 P56373 1/20 0.49
P2RX4 Q99571 1/20 0.49
DOT1L Q8TEK3 3/20 0.47
PRKACA P17612 1/20 0.46
AMD1 P17707 2/20 0.46

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
SCHEMBL9940959 0.88 PI4KA (0.63) PI4KAPI4K2BPI4K2API4KBRXFP1
SCHEMBL9970657 0.88 PI4KA (0.63) PI4KAPI4K2BPI4K2API4KBRXFP1
SCHEMBL13662859 0.86 PI4KA (0.64) PI4KAPI4K2BPI4K2API4KBRXFP1
SCHEMBL9936684 0.83 DOT1L (0.59) PI4KAPI4K2BPI4K2API4KBDOT1L
SCHEMBL9941051 0.81 PI4KA (0.62) PI4KAPI4K2BPI4K2API4KBPRMT7
SCHEMBL9941044 0.81 PI4KA (0.62) PI4KAPI4K2BPI4K2API4KBPRMT7
SCHEMBL9970210 0.80 NNMT (0.57) PI4KAPI4K2BPI4K2API4KBRXFP1
SCHEMBL15389777 0.80 RXFP1 (0.58) PI4KAPI4K2BPI4K2API4KBRXFP1
SCHEMBL19818241 0.78 PI4KA (0.62) PI4KAPI4K2BPI4K2API4KBRXFP1
SCHEMBL19820156 0.78 PI4KA (0.62) PI4KAPI4K2BPI4K2API4KBRXFP1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2646455-A2 MODULATORS OF HISTONE METHYLTRANSFERASE, AND METHODS OF USE THEREOF Epizyme, Inc. (US) 2013-10-09 EP disclosed
WO-2012082436-A2 MODULATORS OF HISTONE METHYLTRANSFERASE, AND METHODS OF USE THEREOF Epizyme, Inc. (US) 2012-06-21 WO disclosed