SCHEMBL30876250

SCHEMBL30876250

COc1ccc(CN(C)S(=O)(=O)c2cnc(NCC3[C@H]4CC(F)(F)C[C@@H]34)c(-c3cn(C)cn3)c2)cc1

nearest known ligand 0.39

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ KAT8 Q9H7Z6 12/20 0.39
▸ KAT6A Q92794 2/20 0.36
▸ BRD4 O60885 1/20 0.35
▸ MEN1 O00255 2/20 0.35
▸ KMT2A Q03164 2/20 0.35
▸ L3MBTL1 Q9Y468 1/20 0.34
▸ MAPK8 P45983 1/20 0.33
▸ MAPK10 P53779 1/20 0.33
▸ ACLY P53396 1/20 0.33
▸ TNF P01375 1/20 0.32
▸ NOD2 Q9HC29 1/20 0.32
▸ NOD1 Q9Y239 1/20 0.32
▸ CNR1 P21554 1/20 0.31
▸ CNR2 P34972 1/20 0.31

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
SCHEMBL30876257 0.89 KAT8 (0.40) KAT8KAT6AMEN1KMT2AL3MBTL1
SCHEMBL30876273 0.86 KAT8 (0.40) KAT8KAT6AMEN1KMT2AMAPK8
SCHEMBL30876248 0.84 MEN1 (0.37) MEN1KMT2AL3MBTL1ACLYTNF
SCHEMBL30129825 0.80 KAT8 (0.38) KAT8KAT6AMEN1KMT2AMAPK8
SCHEMBL30876268 0.80 BRD4 (0.43) KAT8BRD4
SCHEMBL30876283 0.77 KAT8 (0.41) KAT8KAT6AMEN1KMT2AMAPK8
SCHEMBL30876221 0.76 KAT8 (0.39) KAT8KAT6ABRD4MEN1KMT2A
SCHEMBL22718120 0.75 KDR (0.43) MEN1KMT2A
SCHEMBL29438843 0.75 KDR (0.43) MEN1KMT2A
SCHEMBL30876249 0.74 L3MBTL1 (0.37) MEN1KMT2AL3MBTL1ACLYTNF

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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