SCHEMBL9970201

SCHEMBL9970201

CC(C)(C)c1ccc2[nH]c(CCCCS(=O)(=O)C[C@H]3OC(n4cnc5c(N)ncnc54)[C@H](O)[C@@H]3O)nc2c1

nearest known ligand 0.58

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
DOT1L Q8TEK3 12/20 0.58
FASN P49327 1/20 0.54
ADORA1 P30542 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
SCHEMBL9940637 1.00 DOT1L (0.58) DOT1LFASNADORA1
SCHEMBL9940737 0.98 DOT1L (0.59) DOT1LFASNADORA1
SCHEMBL15395376 0.90 DOT1L (0.48) DOT1LFASN
SCHEMBL9970654 0.88 RXFP1 (0.49) DOT1LFASN
SCHEMBL9942362 0.88 RXFP1 (0.49) DOT1LFASN
SCHEMBL9942361 0.88 RXFP1 (0.49) DOT1LFASN
SCHEMBL9942748 0.88 RXFP1 (0.49) DOT1LFASN
SCHEMBL9970205 0.87 DOT1L (0.61) DOT1L
SCHEMBL9940700 0.87 DOT1L (0.61) DOT1L
SCHEMBL9940701 0.87 DOT1L (0.61) DOT1L

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