SCHEMBL2291899

SCHEMBL2291899

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

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PI4KA P42356 2/20 0.69
PI4K2B Q8TCG2 2/20 0.69
PI4K2A Q9BTU6 2/20 0.69
PI4KB Q9UBF8 2/20 0.69
RXFP1 Q9HBX9 1/20 0.64
P2RX3 P56373 3/20 0.61
P2RX1 P51575 2/20 0.61
P2RX4 Q99571 2/20 0.61
AMD1 P17707 2/20 0.55
AHCY P23526 3/20 0.54
DOT1L Q8TEK3 2/20 0.50
GAA P10253 1/20 0.49
OR51E2 Q9H255 1/20 0.48
DPP4 P27487 1/20 0.47
MEN1 O00255 1/20 0.47
SLC28A1 O00337 1/20 0.47
MAP3K7 O43318 1/20 0.47
SLC28A2 O43868 1/20 0.47
GAPDH P04406 1/20 0.47
ADORA3 P0DMS8 1/20 0.47

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
SCHEMBL2291893 0.88 PI4KA (0.67) PI4KAPI4K2BPI4K2API4KBRXFP1
SCHEMBL19991769 0.87 PI4KA (0.77) PI4KAPI4K2BPI4K2API4KBRXFP1
SCHEMBL15395684 0.84 PI4KA (0.62) PI4KAPI4K2BPI4K2API4KBRXFP1
SCHEMBL9970148 0.84 PI4KA (0.62) PI4KAPI4K2BPI4K2API4KBRXFP1
SCHEMBL17777367 0.84 DOT1L (0.61) PI4KAPI4K2BPI4K2API4KBRXFP1
SCHEMBL14174703 0.83 PI4KA (0.59) PI4KAPI4K2BPI4K2API4KBRXFP1
SCHEMBL15395441 0.83 PI4KA (0.60) PI4KAPI4K2BPI4K2API4KBRXFP1
SCHEMBL9970622 0.83 PI4KA (0.60) PI4KAPI4K2BPI4K2API4KBRXFP1
SCHEMBL24146588 0.82 PI4KA (1.00) PI4KAPI4K2BPI4K2API4KBRXFP1
SCHEMBL308385 0.82 PI4KA (1.00) 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
US-7989430-B2 Antibacterial agents REGENTS OF THE UNIVERSITY OF MINNESOTA (US) 2011-08-02 US disclosed