SCHEMBL9970432

SCHEMBL9970432

CN(CCCCN1C(=O)c2ccccc2C1=O)C[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@@H]2OC(C)(C)O[C@@H]21

nearest known ligand 0.56

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PI4KA P42356 1/20 0.56
PI4K2B Q8TCG2 1/20 0.56
PI4K2A Q9BTU6 1/20 0.56
PI4KB Q9UBF8 1/20 0.56
RXFP1 Q9HBX9 1/20 0.55
AMD1 P17707 4/20 0.49
P2RX1 P51575 2/20 0.49
P2RX3 P56373 2/20 0.49
P2RX4 Q99571 2/20 0.49
EZH2 Q15910 1/20 0.46
DOT1L Q8TEK3 4/20 0.44
GNMT Q14749 1/20 0.41
OR51E2 Q9H255 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
SCHEMBL9940482 0.98 PI4KA (0.57) PI4KAPI4K2BPI4K2API4KBRXFP1
SCHEMBL15395609 0.90 PI4KA (0.56) PI4KAPI4K2BPI4K2API4KBRXFP1
SCHEMBL9940545 0.90 RXFP1 (0.54) PI4KAPI4K2BPI4K2API4KBRXFP1
SCHEMBL9940517 0.90 RXFP1 (0.54) PI4KAPI4K2BPI4K2API4KBRXFP1
SCHEMBL9940434 0.89 PI4KA (0.56) PI4KAPI4K2BPI4K2API4KBRXFP1
SCHEMBL9937285 0.88 RXFP1 (0.55) PI4KAPI4K2BPI4K2API4KBRXFP1
SCHEMBL9940605 0.88 PI4KA (0.57) PI4KAPI4K2BPI4K2API4KBRXFP1
SCHEMBL9940650 0.87 PI4KA (0.53) PI4KAPI4K2BPI4K2API4KBRXFP1
SCHEMBL954704 0.86 PI4KA (0.56) PI4KAPI4K2BPI4K2API4KBRXFP1
SCHEMBL12915032 0.86 PI4KA (0.56) 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