SCHEMBL30876273

SCHEMBL30876273

COc1ccc(CN(C)S(=O)(=O)c2cc(-c3cn(C)cn3)cnc2NCC2[C@H]3CC(F)(F)C[C@@H]23)cc1

nearest known ligand 0.40

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ KAT8 Q9H7Z6 13/20 0.40
▸ KAT6A Q92794 2/20 0.39
▸ ACLY P53396 1/20 0.36
▸ MEN1 O00255 2/20 0.35
▸ KMT2A Q03164 2/20 0.35
▸ NTRK1 P04629 2/20 0.34
▸ KCNH2 Q12809 2/20 0.34
▸ MAPK8 P45983 1/20 0.34
▸ MAPK10 P53779 1/20 0.34
▸ TNF P01375 1/20 0.33
▸ NOD2 Q9HC29 1/20 0.33
▸ NOD1 Q9Y239 1/20 0.33

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
SCHEMBL30876283 0.89 KAT8 (0.41) KAT8KAT6AACLYMEN1KMT2A
SCHEMBL30876250 0.86 KAT8 (0.39) KAT8KAT6AACLYMEN1KMT2A
SCHEMBL30876235 0.80 KAT8 (0.33) KAT8KAT6AKCNH2
SCHEMBL30876248 0.78 MEN1 (0.37) ACLYMEN1KMT2ATNFNOD2
SCHEMBL30876257 0.77 KAT8 (0.40) KAT8KAT6AACLYMEN1KMT2A
SCHEMBL29438856 0.68 MEN1 (0.49) KAT8ACLYMEN1KMT2A
SCHEMBL30876268 0.68 BRD4 (0.43) KAT8
SCHEMBL30876249 0.67 L3MBTL1 (0.37) ACLYMEN1KMT2ATNFNOD2
SCHEMBL30129825 0.67 KAT8 (0.38) KAT8KAT6AACLYMEN1KMT2A
SCHEMBL30876296 0.67 KCNH2 (0.34) KAT8KAT6ANTRK1KCNH2

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-118005606-A TEAD inhibitors 武汉人福创新药物研发中心有限公司 2024-05-10 — — CN disclosed
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