SCHEMBL18864307

SCHEMBL18864307

Cc1cc(C)c(CNC(O)c2cc(-c3cc[nH]n3)cc3c2c(C)cn3C(C)C)c(=O)[nH]1

nearest known ligand 0.46

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ EZH2 Q15910 18/20 0.46
▸ EZH1 Q92800 4/20 0.45
▸ EED O75530 2/20 0.39
▸ SUZ12 Q15022 2/20 0.39
▸ BRD4 O60885 2/20 0.39
▸ HDAC1 Q13547 1/20 0.36
▸ HDAC6 Q9UBN7 1/20 0.35
▸ BRD2 P25440 1/20 0.34
▸ BRD3 Q15059 1/20 0.34
▸ BRDT Q58F21 1/20 0.34
▸ RBBP4 Q09028 1/20 0.34
▸ AEBP2 Q6ZN18 1/20 0.34

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
SCHEMBL18864309 0.86 EZH2 (0.47) EZH2EZH1EEDSUZ12BRD4
SCHEMBL2593954 0.83 EZH2 (0.65) EZH2EZH1EEDSUZ12BRD4
SCHEMBL19620868 0.83 EZH2 (0.44) EZH2EZH1EEDSUZ12BRD4
SCHEMBL18864353 0.82 EZH2 (0.51) EZH2EZH1EEDSUZ12HDAC1
SCHEMBL18863721 0.82 EZH2 (0.49) EZH2EZH1EEDSUZ12BRD4
SCHEMBL19621002 0.81 EZH2 (0.46) EZH2EZH1EEDSUZ12BRD4
SCHEMBL19890902 0.78 EZH2 (0.75) EZH2EZH1EEDSUZ12HDAC1
SCHEMBL19621023 0.77 EZH2 (0.43) EZH2EZH1EEDSUZ12RBBP4
SCHEMBL19620934 0.77 EZH2 (0.51) EZH2EZH1EEDSUZ12HDAC1
SCHEMBL19620823 0.75 EZH2 (0.42) EZH2EZH1EEDSUZ12BRD4

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
US-9649307-B2 Indoles GLAXOSMITHKLINE LLC (US) 2017-05-16 — — US disclosed
Send feedback