SCHEMBL10247638

SCHEMBL10247638

CCOC(=O)CCCCN(C[C@H]1OC(n2cnc3c(N)ncnc32)[C@@H]2OC(C)(C)O[C@H]12)C(C)C

nearest known ligand 0.57

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PI4KA P42356 1/20 0.57
PI4K2B Q8TCG2 1/20 0.57
PI4K2A Q9BTU6 1/20 0.57
PI4KB Q9UBF8 1/20 0.57
RXFP1 Q9HBX9 1/20 0.55
P2RX1 P51575 1/20 0.51
P2RX3 P56373 1/20 0.51
P2RX4 Q99571 1/20 0.51
DOT1L Q8TEK3 4/20 0.51
HSP90B1 P14625 1/20 0.47
DNMT1 P26358 1/20 0.47
AMD1 P17707 3/20 0.47
TRDMT1 O14717 2/20 0.46
GAA P10253 1/20 0.45
SMYD3 Q9H7B4 1/20 0.43
SETD2 Q9BYW2 1/20 0.43
EZH2 Q15910 1/20 0.43

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
SCHEMBL9940292 1.00 PI4KA (0.57) PI4KAPI4K2BPI4K2API4KBRXFP1
SCHEMBL9970627 0.94 PI4KA (0.55) PI4KAPI4K2BPI4K2API4KBRXFP1
SCHEMBL9936960 0.90 DOT1L (0.63) PI4KAPI4K2BPI4K2API4KBRXFP1
SCHEMBL9970658 0.90 PI4KA (0.61) PI4KAPI4K2BPI4K2API4KBRXFP1
SCHEMBL9936622 0.90 PI4KA (0.61) PI4KAPI4K2BPI4K2API4KBRXFP1
SCHEMBL15395697 0.90 PI4KA (0.61) PI4KAPI4K2BPI4K2API4KBRXFP1
SCHEMBL15395746 0.88 PI4KA (0.64) PI4KAPI4K2BPI4K2API4KBRXFP1
SCHEMBL17773141 0.87 PI4KA (0.65) PI4KAPI4K2BPI4K2API4KBRXFP1
SCHEMBL9940849 0.87 DOT1L (0.59) PI4KAPI4K2BPI4K2API4KBRXFP1
SCHEMBL955363 0.86 PI4KA (0.62) 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