SCHEMBL9970737

SCHEMBL9970737

CN(CCC(C)(C)I)C[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@@H]2OC(C)(C)O[C@@H]21

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PI4KA P42356 2/20 0.66
PI4K2B Q8TCG2 2/20 0.66
PI4K2A Q9BTU6 2/20 0.66
PI4KB Q9UBF8 2/20 0.66
RXFP1 Q9HBX9 1/20 0.58
P2RX1 P51575 1/20 0.53
P2RX3 P56373 1/20 0.53
P2RX4 Q99571 1/20 0.53
AMD1 P17707 4/20 0.53
EZH2 Q15910 1/20 0.50
DOT1L Q8TEK3 5/20 0.47
GAA P10253 1/20 0.44
AHCY P23526 1/20 0.44
DPP4 P27487 1/20 0.44
MEN1 O00255 1/20 0.44
SLC28A1 O00337 1/20 0.44
MAP3K7 O43318 1/20 0.44
SLC28A2 O43868 1/20 0.44
GAPDH P04406 1/20 0.44
ADORA3 P0DMS8 1/20 0.44

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
SCHEMBL15390046 0.93 PI4KA (0.68) PI4KAPI4K2BPI4K2API4KBRXFP1
SCHEMBL17153318 0.89 PI4KA (0.70) PI4KAPI4K2BPI4K2API4KBRXFP1
SCHEMBL9970159 0.89 PI4KA (0.70) PI4KAPI4K2BPI4K2API4KBRXFP1
SCHEMBL9970632 0.88 PI4KA (0.67) PI4KAPI4K2BPI4K2API4KBRXFP1
SCHEMBL15395524 0.88 PI4KA (0.67) PI4KAPI4K2BPI4K2API4KBRXFP1
SCHEMBL954215 0.88 PI4KA (0.75) PI4KAPI4K2BPI4K2API4KBRXFP1
SCHEMBL9970711 0.88 PI4KA (0.75) PI4KAPI4K2BPI4K2API4KBRXFP1
SCHEMBL12915019 0.88 PI4KA (0.75) PI4KAPI4K2BPI4K2API4KBRXFP1
SCHEMBL15395676 0.87 PI4KA (0.68) PI4KAPI4K2BPI4K2API4KBRXFP1
SCHEMBL954367 0.87 PI4KA (0.68) 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 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