SCHEMBL9937547

SCHEMBL9937547

CC1(C)O[C@@H]2[C@H](O1)[C@@H](CN(CCCN(C(N)=O)c1ccc(C(C)(C)C)cc1)CC(F)(F)F)O[C@H]2n1cnc2c(N)ncnc21

nearest known ligand 0.51

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PI4KA P42356 1/20 0.51
PI4K2B Q8TCG2 1/20 0.51
PI4K2A Q9BTU6 1/20 0.51
PI4KB Q9UBF8 1/20 0.51
RXFP1 Q9HBX9 1/20 0.47
P2RX1 P51575 1/20 0.45
P2RX3 P56373 1/20 0.45
P2RX4 Q99571 1/20 0.45
DOT1L Q8TEK3 7/20 0.45
SMYD3 Q9H7B4 2/20 0.44
SMYD2 Q9NRG4 1/20 0.44
DNMT1 P26358 1/20 0.44
TRDMT1 O14717 1/20 0.43
AMD1 P17707 2/20 0.42
GNMT Q14749 1/20 0.41
PRMT1 Q99873 2/20 0.41
CARM1 Q86X55 1/20 0.40
EHMT2 Q96KQ7 1/20 0.40
NNMT P40261 1/20 0.40

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
SCHEMBL9937221 0.93 PI4KA (0.54) PI4KAPI4K2BPI4K2API4KBRXFP1
SCHEMBL9937118 0.92 PI4KA (0.55) PI4KAPI4K2BPI4K2API4KBRXFP1
SCHEMBL9937234 0.90 DOT1L (0.56) PI4KAPI4K2BPI4K2API4KBRXFP1
SCHEMBL9970644 0.85 DOT1L (0.64) PI4KAPI4K2BPI4K2API4KBDOT1L
SCHEMBL9936482 0.85 PI4KA (0.54) PI4KAPI4K2BPI4K2API4KBRXFP1
SCHEMBL9937219 0.85 DOT1L (0.54) PI4KAPI4K2BPI4K2API4KBRXFP1
SCHEMBL9937222 0.85 PI4KA (0.53) PI4KAPI4K2BPI4K2API4KBRXFP1
SCHEMBL9937816 0.84 PI4KA (0.53) PI4KAPI4K2BPI4K2API4KBRXFP1
SCHEMBL9937656 0.83 PI4KA (0.58) PI4KAPI4K2BPI4K2API4KBRXFP1
SCHEMBL9281124 0.81 PI4KA (0.53) 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