SCHEMBL28190821

SCHEMBL28190821

CC(C)(C)OC(=O)n1cccc1CN=[N+]=[N-]

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSP90AA1 P07900 1/20 0.39
HSP90AB1 P08238 1/20 0.39
BCHE P06276 1/20 0.37
BUB1 O43683 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
PIK3R1 P27986 1/20 0.33
PIK3CA P42336 1/20 0.33
HDAC8 Q9BY41 1/20 0.32
HTR6 P50406 1/20 0.31
ABCB1 P08183 1/20 0.31
TNK2 Q07912 1/20 0.31
TGFBR1 P36897 1/20 0.31
KLK7 P49862 1/20 0.31
CHRM2 P08172 1/20 0.30
CHRM4 P08173 1/20 0.30
CHRM1 P11229 1/20 0.30
CHRM3 P20309 1/20 0.30
GPR119 Q8TDV5 1/20 0.30
KDM4E B2RXH2 1/20 0.30
PKM P14618 1/20 0.30

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
SCHEMBL2628927 0.78 HSP90AA1 (0.44) HSP90AA1HSP90AB1BCHEBUB1L3MBTL1
SCHEMBL445394 0.78 HSP90AA1 (0.44) HSP90AA1HSP90AB1BCHEBUB1L3MBTL1
SCHEMBL445392 0.78 HSP90AA1 (0.44) HSP90AA1HSP90AB1BCHEBUB1L3MBTL1
SCHEMBL19974442 0.77 HSP90AA1 (0.49) HSP90AA1HSP90AB1BCHEBUB1L3MBTL1
SCHEMBL14949338 0.76 HSP90AA1 (0.42) HSP90AA1HSP90AB1BCHEBUB1L3MBTL1
SCHEMBL23303726 0.74 HSP90AA1 (0.41) HSP90AA1HSP90AB1BCHEBUB1L3MBTL1
SCHEMBL13923446 0.74 L3MBTL1 (0.37) HSP90AA1HSP90AB1BCHEL3MBTL1HDAC8
SCHEMBL6951565 0.72 HSP90AA1 (0.40) HSP90AA1HSP90AB1BCHEBUB1L3MBTL1
Iodide SCHEMBL386911 0.72 BCHE (0.39) HSP90AA1HSP90AB1BCHEBUB1L3MBTL1
SCHEMBL2466359 0.71 HSP90AA1 (0.39) HSP90AA1HSP90AB1BCHEBUB1L3MBTL1

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
CN-110257493-A DNA encoding library with the unreadable Encoding oligonucleotides connection of polymerase X-化学有限公司 2019-09-20 CN disclosed
CN-107428795-A Method for tagging DNA encoding libraries X-化学有限公司 2017-12-01 CN disclosed