SCHEMBL9970700

SCHEMBL9970700

CC(C)N(CCCCc1nc2ccc(Cl)cc2[nH]1)C[C@H]1OC(n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1O

nearest known ligand 0.60

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
DOT1L Q8TEK3 13/20 0.60
DNMT1 P26358 1/20 0.53
TRDMT1 O14717 3/20 0.49
AMD1 P17707 1/20 0.48

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
SCHEMBL9940665 1.00 DOT1L (0.60) DOT1LDNMT1TRDMT1AMD1
SCHEMBL9940834 0.92 DOT1L (0.61) DOT1LDNMT1TRDMT1AMD1
SCHEMBL9940699 0.92 DOT1L (0.64) DOT1LDNMT1TRDMT1AMD1
SCHEMBL15395633 0.90 DOT1L (0.49) DOT1LDNMT1
SCHEMBL9940734 0.90 DOT1L (0.62) DOT1LDNMT1TRDMT1AMD1
SCHEMBL9970237 0.90 DOT1L (0.62) DOT1LDNMT1TRDMT1AMD1
SCHEMBL15395629 0.90 DOT1L (0.62) DOT1LDNMT1TRDMT1AMD1
SCHEMBL9940673 0.90 DOT1L (0.55) DOT1LDNMT1TRDMT1AMD1
SCHEMBL9940679 0.90 DOT1L (0.58) DOT1LDNMT1TRDMT1AMD1
SCHEMBL9970231 0.90 DOT1L (0.58) 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