SCHEMBL9942748

SCHEMBL9942748

CC1(C)OC2C(CS(=O)(=O)CCCCc3nc4cc(C(C)(C)C)ccc4[nH]3)OC(n3cnc4c(N)ncnc43)C2O1

nearest known ligand 0.49

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
RXFP1 Q9HBX9 1/20 0.49
PI4KA P42356 1/20 0.49
PI4K2B Q8TCG2 1/20 0.49
PI4K2A Q9BTU6 1/20 0.49
PI4KB Q9UBF8 1/20 0.49
DOT1L Q8TEK3 8/20 0.47
P2RX1 P51575 1/20 0.43
P2RX3 P56373 1/20 0.43
P2RX4 Q99571 1/20 0.43
AMD1 P17707 2/20 0.43
FASN P49327 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
SCHEMBL9970654 1.00 RXFP1 (0.49) RXFP1PI4KAPI4K2BPI4K2API4KB
SCHEMBL9942361 1.00 RXFP1 (0.49) RXFP1PI4KAPI4K2BPI4K2API4KB
SCHEMBL9942362 1.00 RXFP1 (0.49) RXFP1PI4KAPI4K2BPI4K2API4KB
SCHEMBL9940637 0.88 DOT1L (0.58) DOT1LFASN
SCHEMBL9970201 0.88 DOT1L (0.58) DOT1LFASN
SCHEMBL9940505 0.87 DOT1L (0.49) RXFP1PI4KAPI4K2BPI4K2API4KB
SCHEMBL9970200 0.87 PI4KA (0.50) RXFP1PI4KAPI4K2BPI4K2API4KB
SCHEMBL9940969 0.87 PI4KA (0.50) RXFP1PI4KAPI4K2BPI4K2API4KB
SCHEMBL9940967 0.87 PI4KA (0.50) RXFP1PI4KAPI4K2BPI4K2API4KB
SCHEMBL9940737 0.86 DOT1L (0.59) DOT1LFASN

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