SCHEMBL30967928

SCHEMBL30967928

CC(C)(C)OC(=O)n1cccc1Cc1cccc(Br)c1

nearest known ligand 0.40

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CTSB P07858 1/20 0.40
CTSS P25774 1/20 0.40
CTSK P43235 1/20 0.40
HSP90AA1 P07900 1/20 0.39
HSP90AB1 P08238 1/20 0.39
RIPK1 Q13546 1/20 0.39
PIK3R1 P27986 1/20 0.38
PIK3CA P42336 1/20 0.38
MAOB P27338 4/20 0.37
NR1H2 P55055 1/20 0.37
HCAR2 Q8TDS4 2/20 0.36
TAAR1 Q96RJ0 1/20 0.35
MAOA P21397 1/20 0.35
POLB P06746 1/20 0.35
BCHE P06276 1/20 0.35
PARP15 Q460N3 1/20 0.34
PARP14 Q460N5 1/20 0.34
PARP10 Q53GL7 1/20 0.34
GLA P06280 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
SCHEMBL30967884 1.00 CTSB (0.40) CTSBCTSSCTSKHSP90AA1HSP90AB1
SCHEMBL30967908 0.78 L3MBTL1 (0.42) HSP90AA1HSP90AB1NR1H2
SCHEMBL29237478 0.78 L3MBTL1 (0.42) HSP90AA1HSP90AB1NR1H2
SCHEMBL30217202 0.76 TTR (0.42) MAOB
SCHEMBL29237424 0.76 TTR (0.42) MAOB
SCHEMBL29237420 0.76 TTR (0.42) MAOB
SCHEMBL30918979 0.75 HSP90AA1 (0.49) CTSBCTSSCTSKHSP90AA1HSP90AB1
SCHEMBL445394 0.75 HSP90AA1 (0.44) HSP90AA1HSP90AB1PIK3R1PIK3CANR1H2
SCHEMBL2628927 0.75 HSP90AA1 (0.44) HSP90AA1HSP90AB1PIK3R1PIK3CANR1H2
SCHEMBL445392 0.75 HSP90AA1 (0.44) HSP90AA1HSP90AB1PIK3R1PIK3CANR1H2

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
CN-118201919-A Indole compounds and methods of use 健赞公司 2024-06-14 CN disclosed