SCHEMBL30970490

SCHEMBL30970490

COc1c(C)c(-c2cc(C)ccc2S(=O)(=O)O)cc(-c2cc(C)ccc2S(=O)(=O)O)c1C(=O)N1Cc2cccc(N)c2C1

nearest known ligand 0.33

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
TRAP1 Q12931 6/20 0.33
HSP90B1 P14625 4/20 0.33
HSP90AA1 P07900 3/20 0.33
MEN1 O00255 2/20 0.33
KMT2A Q03164 2/20 0.33
GAA P10253 1/20 0.33
AVPR1B P47901 1/20 0.32
SLC6A9 P48067 2/20 0.32
LMNA P02545 1/20 0.31
L3MBTL1 Q9Y468 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
SCHEMBL30970486 0.88 HSP90AA1 (0.33) TRAP1HSP90B1HSP90AA1MEN1KMT2A
SCHEMBL30970485 0.88 HSP90AA1 (0.33) TRAP1HSP90B1HSP90AA1MEN1KMT2A
SCHEMBL30970484 0.88 TRAP1 (0.32) TRAP1HSP90B1MEN1KMT2AGAA
SCHEMBL30970487 0.86 CCNA2 (0.34)
SCHEMBL30970483 0.86 CCNA2 (0.34)
SCHEMBL30970488 0.85 HSP90AA1 (0.40) HSP90AA1MEN1KMT2AGAAAVPR1B
SCHEMBL30970491 0.80 KCNA1 (0.36) HSP90AA1AVPR1BLMNA
SCHEMBL30301766 0.79 TRAP1 (0.37) TRAP1HSP90B1HSP90AA1MEN1KMT2A
SCHEMBL30301748 0.79 TRAP1 (0.35) TRAP1HSP90B1HSP90AA1MEN1KMT2A
SCHEMBL30368417 0.76 HSP90AA1 (0.44) HSP90B1HSP90AA1

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-118317949-A Isoindolines as PMS2 inhibitors 奈奥芬莱有限公司 2024-07-09 CN disclosed