SCHEMBL7735012

SCHEMBL7735012

CC1(C)O[C@@H]2C(CO)OC(n3cnc4c(Cl)ncnc43)[C@@H]2O1

nearest known ligand 0.77

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PI4KA P42356 2/20 0.77
PI4K2B Q8TCG2 2/20 0.77
PI4K2A Q9BTU6 2/20 0.77
PI4KB Q9UBF8 2/20 0.77
ALDH1A1 P00352 1/20 0.56
LMNA P02545 1/20 0.56
TDP1 Q9NUW8 1/20 0.56
RXFP1 Q9HBX9 1/20 0.53
P2RX1 P51575 1/20 0.51
P2RX3 P56373 1/20 0.51
P2RX4 Q99571 1/20 0.51
SLC29A1 Q99808 3/20 0.50
GAA P10253 1/20 0.50
OR51E2 Q9H255 1/20 0.49
AMD1 P17707 2/20 0.48
SMN1; SMN2 Q16637 2/20 0.47
DPP4 P27487 1/20 0.47
MEN1 O00255 1/20 0.47
SLC28A1 O00337 1/20 0.47
MAP3K7 O43318 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
SCHEMBL30942645 1.00 PI4KA (0.77) PI4KAPI4K2BPI4K2API4KBALDH1A1
SCHEMBL12629188 1.00 PI4KA (0.77) PI4KAPI4K2BPI4K2API4KBALDH1A1
SCHEMBL1795588 1.00 PI4KA (0.77) PI4KAPI4K2BPI4K2API4KBALDH1A1
SCHEMBL66731 1.00 PI4KA (0.77) PI4KAPI4K2BPI4K2API4KBALDH1A1
SCHEMBL91054 1.00 PI4KA (0.77) PI4KAPI4K2BPI4K2API4KBALDH1A1
SCHEMBL1757060 1.00 PI4KA (0.77) PI4KAPI4K2BPI4K2API4KBALDH1A1
SCHEMBL17568785 1.00 PI4KA (0.77) PI4KAPI4K2BPI4K2API4KBALDH1A1
SCHEMBL15395424 1.00 PI4KA (0.77) PI4KAPI4K2BPI4K2API4KBALDH1A1
SCHEMBL21882960 1.00 PI4KA (0.77) PI4KAPI4K2BPI4K2API4KBALDH1A1
SCHEMBL5672710 0.90 PI4KA (0.63) PI4KAPI4K2BPI4K2API4KBALDH1A1

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 4 patents. 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
US-6407076-B1 ANTIISCHEMIC, ANTILIPOLYTIC, ANTICONVULSANT AND HYPOTENSIVE AGENTS; CARDIOVASCULAR AND NERVOUS SYSTEM DISORDERS; ATHEROSCLEROSIS SMITHKLINE BEECHAM CORPORATION 2002-06-18 US disclosed
EP-1027363-A2 ADENOSINE A1-RECEPTOR AGONISTS GLAXO GROUP LIMITED (GB) 2000-08-16 EP disclosed
WO-1999024450-A2 ADENSINE A1 RECEPTOR AGONISTS GLAXO GROUP LIMITED (GB) 1999-05-20 WO disclosed