SCHEMBL9970231

SCHEMBL9970231

Cc1cc2nc(CCCCN(C[C@H]3OC(n4cnc5c(N)ncnc54)[C@H](O)[C@@H]3O)C(C)C)[nH]c2cc1C

nearest known ligand 0.58

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
DOT1L Q8TEK3 11/20 0.58
DNMT1 P26358 1/20 0.53
TRDMT1 O14717 2/20 0.50
AMD1 P17707 2/20 0.50
SMYD3 Q9H7B4 1/20 0.49
EZH2 Q15910 1/20 0.49
EHMT1 Q9H9B1 1/20 0.47

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
SCHEMBL9940679 1.00 DOT1L (0.58) DOT1LDNMT1TRDMT1AMD1SMYD3
SCHEMBL15395629 0.94 DOT1L (0.62) DOT1LDNMT1TRDMT1AMD1SMYD3
SCHEMBL9940699 0.92 DOT1L (0.64) DOT1LDNMT1TRDMT1AMD1SMYD3
SCHEMBL9940834 0.92 DOT1L (0.61) DOT1LDNMT1TRDMT1AMD1SMYD3
SCHEMBL15395705 0.92 DOT1L (0.60) DOT1LDNMT1TRDMT1AMD1SMYD3
SCHEMBL9940745 0.90 DOT1L (0.57) DOT1LDNMT1TRDMT1AMD1SMYD3
SCHEMBL9940715 0.90 DOT1L (0.61) DOT1LDNMT1TRDMT1AMD1SMYD3
SCHEMBL9940518 0.90 DOT1L (0.57) DOT1LDNMT1TRDMT1AMD1SMYD3
SCHEMBL9970616 0.90 DOT1L (0.61) DOT1LDNMT1TRDMT1AMD1SMYD3
SCHEMBL9940665 0.90 DOT1L (0.60) DOT1LDNMT1TRDMT1AMD1

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