SCHEMBL9937816

SCHEMBL9937816

CC1(C)OC2[C@H](n3cnc4c(N)ncnc43)O[C@H](C[S+]([O-])CCCN(C(N)=O)c3ccc(C(C)(C)C)cc3)[C@H]2O1

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 0.49
P2RX1 P51575 1/20 0.46
P2RX3 P56373 1/20 0.46
P2RX4 Q99571 1/20 0.46
DOT1L Q8TEK3 6/20 0.44
DNMT1 P26358 1/20 0.43
AMD1 P17707 3/20 0.43
CARM1 Q86X55 2/20 0.39
PRMT5 O14744 1/20 0.39
PRMT3 O60678 1/20 0.39
ADORA3 P0DMS8 1/20 0.39
PNMT P11086 1/20 0.39
PCMT1 P22061 1/20 0.39
KDR P35968 1/20 0.39
PRMT6 Q96LA8 1/20 0.39
PRMT1 Q99873 1/20 0.39

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
SCHEMBL9937234 0.87 DOT1L (0.56) PI4KAPI4K2BPI4K2API4KBRXFP1
SCHEMBL9937221 0.86 PI4KA (0.54) PI4KAPI4K2BPI4K2API4KBRXFP1
SCHEMBL9936482 0.86 PI4KA (0.54) PI4KAPI4K2BPI4K2API4KBRXFP1
SCHEMBL9937219 0.86 DOT1L (0.54) PI4KAPI4K2BPI4K2API4KBRXFP1
SCHEMBL9937222 0.86 PI4KA (0.53) PI4KAPI4K2BPI4K2API4KBRXFP1
SCHEMBL9937118 0.85 PI4KA (0.55) PI4KAPI4K2BPI4K2API4KBRXFP1
SCHEMBL9937547 0.84 PI4KA (0.51) PI4KAPI4K2BPI4K2API4KBRXFP1
SCHEMBL9970300 0.83 DOT1L (0.61) PI4KAPI4K2BPI4K2API4KBRXFP1
SCHEMBL9940551 0.83 DOT1L (0.61) PI4KAPI4K2BPI4K2API4KBRXFP1
SCHEMBL9940552 0.83 DOT1L (0.61) 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