SCHEMBL21609265

SCHEMBL21609265

COc1ccc(-c2cc(OC)c3c(N[S+]([O-])c4c(OC)cccc4OC)noc3c2)cn1

nearest known ligand 0.39

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ERN1 O75460 1/20 0.38
HSD17B1 P14061 1/20 0.37
HSD17B2 P37059 1/20 0.37
KAT6A Q92794 12/20 0.37
KAT7 O95251 11/20 0.37
KAT6B Q8WYB5 4/20 0.37
PDGFRB P09619 1/20 0.37
PDGFRA P16234 1/20 0.37
KAT5 Q92993 2/20 0.36
KAT8 Q9H7Z6 2/20 0.36
FYN P06241 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
PIK3CA P42336 1/20 0.34
HDAC1 Q13547 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
SCHEMBL21609189 0.83 KAT6A (0.41) KAT6AKAT7KAT6BKAT5KAT8
SCHEMBL21609267 0.81 ERN1 (0.39) ERN1HSD17B1HSD17B2KAT6AKAT7
SCHEMBL21641927 0.79 KAT6A (0.60) KAT6AKAT7KAT6BKAT5KAT8
SCHEMBL21609073 0.79 KAT6A (0.40) KAT6AKAT7KAT6BKAT5KAT8
SCHEMBL25564467 0.75 KAT6A (0.42) KAT6AKAT7KAT6BKAT5KAT8
SCHEMBL22817457 0.73 KAT6A (0.68) KAT6AKAT7KAT6BKAT5KAT8
SCHEMBL26804388 0.73 KAT7 (0.68) KAT6AKAT7KAT6BKAT5KAT8
SCHEMBL22817409 0.73 KAT6A (0.67) KAT6AKAT7KAT6BKAT5KAT8
SCHEMBL22817404 0.71 KAT6A (0.51) KAT6AKAT7KAT6BKAT5KAT8
SCHEMBL22817319 0.70 KAT7 (0.68) KAT6AKAT7KAT6BKAT5KAT8

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-2019243491-A1 COMPOUNDS CTXT PTY LIMITED (AU) 2019-12-26 WO disclosed