SCHEMBL9970197

SCHEMBL9970197

CC1(C)O[C@@H]2[C@@H](CSCCCCC(=O)O)OC(n3cnc4c(N)ncnc43)[C@@H]2O1

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PI4KA P42356 1/20 0.65
PI4K2B Q8TCG2 1/20 0.65
PI4K2A Q9BTU6 1/20 0.65
PI4KB Q9UBF8 1/20 0.65
RXFP1 Q9HBX9 1/20 0.58
DOT1L Q8TEK3 9/20 0.57
AMD1 P17707 2/20 0.57
P2RX1 P51575 1/20 0.55
P2RX3 P56373 1/20 0.55
P2RX4 Q99571 1/20 0.55
DNMT3B Q9UBC3 3/20 0.55
PRMT7 Q9NVM4 2/20 0.55
CARM1 Q86X55 2/20 0.53
EHMT2 Q96KQ7 2/20 0.53
PRMT5 O14744 2/20 0.53
PNMT P11086 2/20 0.53
DNMT1 P26358 2/20 0.53
TRDMT1 O14717 1/20 0.53
SUV39H1 O43463 1/20 0.53
PRMT3 O60678 1/20 0.53

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
SCHEMBL9940497 1.00 PI4KA (0.65) PI4KAPI4K2BPI4K2API4KBRXFP1
SCHEMBL9940489 1.00 PI4KA (0.65) PI4KAPI4K2BPI4K2API4KBRXFP1
SCHEMBL9941051 0.91 PI4KA (0.62) PI4KAPI4K2BPI4K2API4KBRXFP1
SCHEMBL9941044 0.91 PI4KA (0.62) PI4KAPI4K2BPI4K2API4KBRXFP1
SCHEMBL9940467 0.88 PI4KA (0.69) PI4KAPI4K2BPI4K2API4KBRXFP1
SCHEMBL9940463 0.88 PI4KA (0.69) PI4KAPI4K2BPI4K2API4KBRXFP1
SCHEMBL15395702 0.86 DOT1L (0.64) PI4KAPI4K2BPI4K2API4KBRXFP1
SCHEMBL9915117 0.86 DNMT1 (0.54) PI4KAPI4K2BPI4K2API4KBRXFP1
SCHEMBL27092963 0.84 DOT1L (0.77) DOT1LDNMT3BPRMT7CARM1EHMT2
SCHEMBL16705109 0.84 PI4KA (0.64) 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