SCHEMBL9970237

SCHEMBL9970237

CCOc1ccc2nc(CCCCN(C[C@H]3OC(n4cnc5c(N)ncnc54)[C@H](O)[C@@H]3O)C(C)C)[nH]c2c1

nearest known ligand 0.62

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
DOT1L Q8TEK3 14/20 0.62
DNMT1 P26358 1/20 0.51
METTL3 Q86U44 1/20 0.49
AMD1 P17707 2/20 0.48
TRDMT1 O14717 2/20 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
SCHEMBL9940734 1.00 DOT1L (0.62) DOT1LDNMT1METTL3AMD1TRDMT1
SCHEMBL9940834 0.91 DOT1L (0.61) DOT1LDNMT1AMD1TRDMT1
SCHEMBL9940665 0.90 DOT1L (0.60) DOT1LDNMT1AMD1TRDMT1
SCHEMBL9970700 0.90 DOT1L (0.60) DOT1LDNMT1AMD1TRDMT1
SCHEMBL9940474 0.88 DOT1L (0.56) DOT1LDNMT1METTL3AMD1TRDMT1
SCHEMBL9970231 0.88 DOT1L (0.58) DOT1LDNMT1AMD1TRDMT1
SCHEMBL9940679 0.88 DOT1L (0.58) DOT1LDNMT1AMD1TRDMT1
SCHEMBL9940699 0.87 DOT1L (0.64) DOT1LDNMT1AMD1TRDMT1
SCHEMBL15395705 0.86 DOT1L (0.60) DOT1LDNMT1AMD1TRDMT1
SCHEMBL9940745 0.86 DOT1L (0.57) DOT1LDNMT1AMD1TRDMT1

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
WO-2013055397-A1 INHIBITION AND ENHANCEMENT OF REPROGRAMMING BY CHROMATIN MODIFYING ENZYMES CHILDREN'S MEDICAL CENTER CORPORATION (US) 2013-04-18 WO disclosed
WO-2012082436-A2 MODULATORS OF HISTONE METHYLTRANSFERASE, AND METHODS OF USE THEREOF Epizyme, Inc. (US) 2012-06-21 WO disclosed