SCHEMBL9970616

SCHEMBL9970616

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

nearest known ligand 0.61

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
DOT1L Q8TEK3 11/20 0.61
DNMT1 P26358 1/20 0.50
TRDMT1 O14717 2/20 0.47
AMD1 P17707 2/20 0.47
SMYD3 Q9H7B4 1/20 0.46
CARM1 Q86X55 1/20 0.46
PRMT1 Q99873 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
SCHEMBL9940715 1.00 DOT1L (0.61) DOT1LDNMT1TRDMT1AMD1SMYD3
SCHEMBL9940699 0.95 DOT1L (0.64) DOT1LDNMT1TRDMT1AMD1SMYD3
SCHEMBL9940518 0.92 DOT1L (0.57) DOT1LDNMT1TRDMT1AMD1SMYD3
SCHEMBL15395629 0.91 DOT1L (0.62) DOT1LDNMT1TRDMT1AMD1SMYD3
SCHEMBL9970620 0.91 DOT1L (0.74) DOT1LDNMT1TRDMT1AMD1SMYD3
SCHEMBL9940623 0.91 DOT1L (0.74) DOT1LDNMT1TRDMT1AMD1SMYD3
SCHEMBL15395379 0.90 DOT1L (0.50) DOT1LDNMT1
SCHEMBL9940745 0.90 DOT1L (0.57) DOT1LDNMT1TRDMT1AMD1SMYD3
SCHEMBL9940679 0.90 DOT1L (0.58) DOT1LDNMT1TRDMT1AMD1SMYD3
SCHEMBL9970231 0.90 DOT1L (0.58) DOT1LDNMT1TRDMT1AMD1SMYD3

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