Sugi Predict

Sugi Predict / Compounds / SCHEMBL9936684

SCHEMBL9936684

SCHEMBL9936684

CC1(C)O[C@@H]2[C@H](O1)[C@@H](Cc1cccc(CNCCCNC(=O)Nc3ccc(C(C)(C)C)cc3)c1)O[C@H]2n1cnc2c(N)ncnc21

nearest known ligand 0.59

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ DOT1L Q8TEK3 18/20 0.59
▸ DNMT1 P26358 1/20 0.56
▸ PI4KA P42356 1/20 0.49
▸ PI4K2B Q8TCG2 1/20 0.49
▸ PI4K2A Q9BTU6 1/20 0.49
▸ PI4KB Q9UBF8 1/20 0.49

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
SCHEMBL15395752 0.91 DOT1L (0.64) DOT1LDNMT1PI4KAPI4K2BPI4K2A
SCHEMBL9937170 0.91 DOT1L (0.64) DOT1LDNMT1PI4KAPI4K2BPI4K2A
SCHEMBL9936973 0.85 DOT1L (0.78) DOT1LDNMT1
SCHEMBL9936969 0.85 DOT1L (0.78) DOT1LDNMT1
SCHEMBL9936938 0.84 DOT1L (0.59) DOT1LDNMT1PI4KAPI4K2BPI4K2A
SCHEMBL9942773 0.84 DOT1L (0.63) DOT1LDNMT1
SCHEMBL15395715 0.84 DOT1L (0.63) DOT1LDNMT1
SCHEMBL9970349 0.84 DOT1L (0.63) DOT1LDNMT1
SCHEMBL16202797 0.84 DOT1L (0.79) DOT1LDNMT1PI4KAPI4K2BPI4K2A
SCHEMBL9942294 0.84 DOT1L (0.62) DOT1LDNMT1PI4KAPI4K2BPI4K2A

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