Sugi Predict

Sugi Predict / Compounds / SCHEMBL20612295

SCHEMBL20612295

SCHEMBL20612295

CCN(C)CCN(C)c1ccc(-c2cc(C(=O)NCc3c(C)cc(C)[nH]c3=O)c3c(C)cn(C(C)C)c3c2)cn1

nearest known ligand 0.69

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ EZH2 Q15910 18/20 0.69
▸ EZH1 Q92800 4/20 0.69
▸ EED O75530 6/20 0.62
▸ SUZ12 Q15022 6/20 0.62
▸ HDAC1 Q13547 1/20 0.58
▸ HDAC6 Q9UBN7 1/20 0.55
▸ RBBP4 Q09028 1/20 0.51
▸ RBBP7 Q16576 1/20 0.51
▸ AEBP2 Q6ZN18 1/20 0.51

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
SCHEMBL12180095 0.91 EZH2 (0.73) EZH2EZH1EEDSUZ12HDAC1
SCHEMBL20612256 0.90 EZH2 (0.66) EZH2EZH1EEDSUZ12HDAC1
SCHEMBL2595055 0.86 EZH2 (0.69) EZH2EZH1EEDSUZ12HDAC1
SCHEMBL12180452 0.86 EZH2 (0.65) EZH2EZH1EEDSUZ12HDAC1
SCHEMBL12180115 0.85 EZH2 (0.74) EZH2EZH1EEDSUZ12HDAC1
SCHEMBL12180178 0.85 EZH2 (0.73) EZH2EZH1EEDSUZ12HDAC1
SCHEMBL12180150 0.85 EZH2 (0.73) EZH2EZH1EEDSUZ12HDAC1
SCHEMBL19620805 0.84 EZH2 (0.75) EZH2EZH1EEDSUZ12HDAC1
SCHEMBL2590220 0.84 EZH2 (0.75) EZH2EZH1EEDSUZ12HDAC1
SCHEMBL2595276 0.84 EZH2 (0.75) EZH2EZH1EEDSUZ12HDAC1

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
EP-2825161-B1 INHIBITORS OF HUMAN EZH2, AND METHODS OF USE THEREOF EPIZYME INC (US) 2019-01-02 — — EP disclosed