SCHEMBL9970193

SCHEMBL9970193

CC1(C)O[C@@H]2[C@@H](CSCCCN3C(=O)c4ccccc4C3=O)OC(n3cnc4c(N)ncnc43)[C@@H]2O1

nearest known ligand 0.58

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PI4KA P42356 1/20 0.58
PI4K2B Q8TCG2 1/20 0.58
PI4K2A Q9BTU6 1/20 0.58
PI4KB Q9UBF8 1/20 0.58
RXFP1 Q9HBX9 1/20 0.56
AMD1 P17707 2/20 0.53
P2RX1 P51575 1/20 0.50
P2RX3 P56373 1/20 0.50
P2RX4 Q99571 1/20 0.50
DOT1L Q8TEK3 10/20 0.49
DNMT3B Q9UBC3 2/20 0.49
PRMT7 Q9NVM4 1/20 0.49
PNMT P11086 1/20 0.47
DNMT1 P26358 1/20 0.47
CARM1 Q86X55 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
SCHEMBL9936235 1.00 PI4KA (0.58) PI4KAPI4K2BPI4K2API4KBRXFP1
SCHEMBL9936239 1.00 PI4KA (0.58) PI4KAPI4K2BPI4K2API4KBRXFP1
SCHEMBL23685601 0.86 PI4KA (0.67) PI4KAPI4K2BPI4K2API4KBRXFP1
SCHEMBL30238865 0.86 PI4KA (0.67) PI4KAPI4K2BPI4K2API4KBRXFP1
SCHEMBL9940423 0.86 PI4KA (0.67) PI4KAPI4K2BPI4K2API4KBRXFP1
SCHEMBL7852022 0.86 PI4KA (0.67) PI4KAPI4K2BPI4K2API4KBRXFP1
SCHEMBL18125986 0.86 PI4KA (0.67) PI4KAPI4K2BPI4K2API4KBRXFP1
SCHEMBL18314957 0.86 PI4KA (0.67) PI4KAPI4K2BPI4K2API4KBRXFP1
SCHEMBL21422623 0.86 PI4KA (0.67) PI4KAPI4K2BPI4K2API4KBRXFP1
SCHEMBL16128948 0.86 PI4KA (0.67) 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