SCHEMBL9970620

SCHEMBL9970620

CC(C)N(CCCCc1nc2cc(Cl)c(C(F)(F)F)cc2[nH]1)C[C@H]1OC(n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1O

nearest known ligand 0.74

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
DOT1L Q8TEK3 12/20 0.74
TRDMT1 O14717 4/20 0.51
DNMT1 P26358 1/20 0.51
SMYD3 Q9H7B4 1/20 0.47
SMYD2 Q9NRG4 1/20 0.47
AMD1 P17707 1/20 0.46

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
SCHEMBL9940623 1.00 DOT1L (0.74) DOT1LTRDMT1DNMT1SMYD3SMYD2
SCHEMBL9940699 0.93 DOT1L (0.64) DOT1LTRDMT1DNMT1SMYD3AMD1
SCHEMBL15395629 0.91 DOT1L (0.62) DOT1LTRDMT1DNMT1SMYD3AMD1
SCHEMBL9970616 0.91 DOT1L (0.61) DOT1LTRDMT1DNMT1SMYD3AMD1
SCHEMBL9940715 0.91 DOT1L (0.61) DOT1LTRDMT1DNMT1SMYD3AMD1
SCHEMBL9970224 0.89 DOT1L (0.60) DOT1LTRDMT1DNMT1SMYD3SMYD2
SCHEMBL9940476 0.89 DOT1L (0.60) DOT1LTRDMT1DNMT1SMYD3SMYD2
SCHEMBL9970231 0.89 DOT1L (0.58) DOT1LTRDMT1DNMT1SMYD3AMD1
SCHEMBL9940679 0.89 DOT1L (0.58) DOT1LTRDMT1DNMT1SMYD3AMD1
SCHEMBL9940665 0.88 DOT1L (0.60) DOT1LTRDMT1DNMT1AMD1

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