SCHEMBL9970657

SCHEMBL9970657

COC(=O)CCCCNC[C@H]1O[C@@H](n2cnc3c(N)ncnc32)C2OC(C)(C)O[C@@H]21

nearest known ligand 0.63

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PI4KA P42356 1/20 0.63
PI4K2B Q8TCG2 1/20 0.63
PI4K2A Q9BTU6 1/20 0.63
PI4KB Q9UBF8 1/20 0.63
RXFP1 Q9HBX9 1/20 0.58
P2RX1 P51575 1/20 0.56
P2RX3 P56373 1/20 0.56
P2RX4 Q99571 1/20 0.56
AMD1 P17707 2/20 0.51
PRKACA P17612 4/20 0.49
DOT1L Q8TEK3 1/20 0.49
ROCK2 O75116 1/20 0.48

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 1.00 PI4KA (0.63) PI4KAPI4K2BPI4K2API4KBRXFP1
SCHEMBL13662859 0.97 PI4KA (0.64) PI4KAPI4K2BPI4K2API4KBRXFP1
SCHEMBL17109960 0.89 PI4KA (0.66) PI4KAPI4K2BPI4K2API4KBRXFP1
SCHEMBL9936952 0.88 PI4KA (0.55) PI4KAPI4K2BPI4K2API4KBRXFP1
SCHEMBL13664461 0.87 PI4KA (0.62) PI4KAPI4K2BPI4K2API4KBRXFP1
SCHEMBL9915107 0.86 PRMT5 (0.47) PI4KAPI4K2BPI4K2API4KBRXFP1
SCHEMBL9941051 0.86 PI4KA (0.62) PI4KAPI4K2BPI4K2API4KBRXFP1
SCHEMBL9941044 0.86 PI4KA (0.62) PI4KAPI4K2BPI4K2API4KBRXFP1
SCHEMBL17108373 0.86 PI4KA (0.69) PI4KAPI4K2BPI4K2API4KBRXFP1
SCHEMBL17773142 0.86 PI4KA (0.69) 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