SCHEMBL9937216

SCHEMBL9937216

CCC([C@@H](C)CN(C)C[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@@H]2OC(C)(C)O[C@@H]21)N(Cc1ccccc1)C(=O)O

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PI4KA P42356 1/20 0.53
PI4K2B Q8TCG2 1/20 0.53
PI4K2A Q9BTU6 1/20 0.53
PI4KB Q9UBF8 1/20 0.53
RXFP1 Q9HBX9 1/20 0.48
P2RX1 P51575 1/20 0.47
P2RX3 P56373 1/20 0.47
P2RX4 Q99571 1/20 0.47
EZH2 Q15910 1/20 0.46
AMD1 P17707 3/20 0.45
TRDMT1 O14717 4/20 0.44
DOT1L Q8TEK3 2/20 0.43
GNMT Q14749 1/20 0.43
P2RY12 Q9H244 1/20 0.41
WDR5 P61964 1/20 0.41
KMT2A Q03164 1/20 0.41
RBBP5 Q15291 1/20 0.41
DPY30 Q9C005 1/20 0.41
ASH2L Q9UBL3 1/20 0.41
NNMT P40261 2/20 0.41

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
SCHEMBL9937206 0.88 PI4KA (0.54) PI4KAPI4K2BPI4K2API4KBRXFP1
SCHEMBL9940922 0.88 PI4KA (0.54) PI4KAPI4K2BPI4K2API4KBRXFP1
SCHEMBL15395574 0.81 PI4KA (0.66) PI4KAPI4K2BPI4K2API4KBRXFP1
SCHEMBL9970320 0.80 DOT1L (0.57) PI4KAPI4K2BPI4K2API4KBRXFP1
SCHEMBL9970162 0.80 DOT1L (0.57) PI4KAPI4K2BPI4K2API4KBRXFP1
SCHEMBL9970158 0.78 PI4KA (0.66) PI4KAPI4K2BPI4K2API4KBRXFP1
SCHEMBL15477348 0.78 PI4KA (0.57) PI4KAPI4K2BPI4K2API4KBRXFP1
SCHEMBL9970635 0.78 PI4KA (0.56) PI4KAPI4K2BPI4K2API4KBRXFP1
SCHEMBL15395563 0.77 PI4KA (0.60) PI4KAPI4K2BPI4K2API4KBRXFP1
SCHEMBL9970336 0.77 DOT1L (0.59) 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2646455-A2 MODULATORS OF HISTONE METHYLTRANSFERASE, AND METHODS OF USE THEREOF Epizyme, Inc. (US) 2013-10-09 EP disclosed
WO-2012082436-A2 MODULATORS OF HISTONE METHYLTRANSFERASE, AND METHODS OF USE THEREOF Epizyme, Inc. (US) 2012-06-21 WO disclosed