SCHEMBL17734663

SCHEMBL17734663

C=NNC(=O)Cn1ccc2c(C(=O)NCc3c(CCC)cc(C)[nH]c3=O)cc(-c3ccc(N4CCN(C)CC4)nc3)cc21

nearest known ligand 0.69

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ EZH2 Q15910 13/20 0.69
▸ EZH1 Q92800 11/20 0.69
▸ EED O75530 5/20 0.69
▸ SUZ12 Q15022 5/20 0.69
▸ RBBP4 Q09028 4/20 0.69
▸ AEBP2 Q6ZN18 4/20 0.69
▸ RBBP7 Q16576 3/20 0.69
▸ PRMT3 O60678 2/20 0.69
▸ SETD7 Q8WTS6 2/20 0.69
▸ ADRA1B P35368 1/20 0.59

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
SCHEMBL17734425 0.90 EZH2 (0.70) EZH2EZH1EEDSUZ12RBBP4
SCHEMBL24227161 0.89 EZH2 (0.70) EZH2EZH1EEDSUZ12RBBP4
SCHEMBL16115918 0.86 EZH2 (0.72) EZH2EZH1EEDSUZ12RBBP4
SCHEMBL17734379 0.85 EZH2 (0.72) EZH2EZH1EEDSUZ12RBBP4
SCHEMBL17734424 0.85 EZH2 (0.67) EZH2EZH1EEDSUZ12RBBP4
SCHEMBL2592678 0.85 EZH2 (0.81) EZH2EZH1EEDSUZ12RBBP4
SCHEMBL17734378 0.84 EZH2 (0.67) EZH2EZH1EEDSUZ12RBBP4
SCHEMBL17734364 0.84 EZH2 (0.72) EZH2EZH1EEDSUZ12RBBP4
SCHEMBL2595575 0.84 EZH2 (0.74) EZH2EZH1EEDSUZ12RBBP4
SCHEMBL20621449 0.82 EZH2 (0.67) EZH2EZH1EEDSUZ12RBBP4

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2016073956-A1 EZH2 INHIBITORS AND USES THEREOF DANA-FARBER CANCER INSTITUTE, INC. (US) 2016-05-12 — — WO disclosed
WO-2016073903-A1 USE OF COMPOSITIONS MODULATING CHROMATIN STRUCTURE FOR GRAFT VERSUS HOST DISEASE (GVHD) DANA-FARBER CANCER INSTITUTE, INC. (US) 2016-05-12 — — WO disclosed
Send feedback