Sugi Predict

Sugi Predict / Compounds / SCHEMBL9970664

SCHEMBL9970664

SCHEMBL9970664

CC(C)(C)c1ccc(NC(=O)NCCCS(=O)(=O)C[C@H]2OC(n3cnc4c(N)ncnc43)[C@H](O)[C@@H]2O)cc1

nearest known ligand 0.77

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
▸ DOT1L Q8TEK3 19/20 0.77
▸ DNMT1 P26358 1/20 0.74

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
SCHEMBL9936410 1.00 DOT1L (0.77) DOT1LDNMT1
SCHEMBL9936408 1.00 DOT1L (0.77) DOT1LDNMT1
SCHEMBL9970108 0.98 DOT1L (0.76) DOT1LDNMT1
SCHEMBL15987173 0.96 DOT1L (0.74) DOT1LDNMT1
SCHEMBL9970112 0.96 DOT1L (0.74) DOT1LDNMT1
SCHEMBL15395476 0.90 DOT1L (0.62) DOT1LDNMT1
SCHEMBL9942294 0.88 DOT1L (0.62) DOT1LDNMT1
SCHEMBL9942295 0.88 DOT1L (0.62) DOT1LDNMT1
SCHEMBL9936965 0.87 DOT1L (0.80) DOT1LDNMT1
SCHEMBL9970256 0.87 DOT1L (0.80) DOT1LDNMT1

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