SCHEMBL9970699

SCHEMBL9970699

CC(C)N(CCCCc1nc2cc(C(F)(F)F)cc(Cl)c2[nH]1)C[C@H]1OC(n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1O

nearest known ligand 0.58

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
DOT1L Q8TEK3 10/20 0.58
DNMT1 P26358 1/20 0.52
TRDMT1 O14717 5/20 0.48
AMD1 P17707 1/20 0.47
SMYD3 Q9H7B4 1/20 0.47
SMYD2 Q9NRG4 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
SCHEMBL9940838 1.00 DOT1L (0.58) DOT1LDNMT1TRDMT1AMD1SMYD3
SCHEMBL9940362 0.93 DOT1L (0.57) DOT1LDNMT1TRDMT1AMD1SMYD3
SCHEMBL15395678 0.90 DOT1L (0.47) DOT1LDNMT1TRDMT1
SCHEMBL9970224 0.88 DOT1L (0.60) DOT1LDNMT1TRDMT1SMYD3SMYD2
SCHEMBL9940476 0.88 DOT1L (0.60) DOT1LDNMT1TRDMT1SMYD3SMYD2
SCHEMBL9970620 0.88 DOT1L (0.74) DOT1LDNMT1TRDMT1AMD1SMYD3
SCHEMBL15395706 0.88 DOT1L (0.57) DOT1LDNMT1TRDMT1AMD1SMYD3
SCHEMBL9940623 0.88 DOT1L (0.74) DOT1LDNMT1TRDMT1AMD1SMYD3
SCHEMBL9940295 0.88 DOT1L (0.55) DOT1LDNMT1TRDMT1AMD1
SCHEMBL9970617 0.88 DOT1L (0.55) 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