SCHEMBL24880000

SCHEMBL24880000

CNS(=O)(=O)c1ccc(Nc2ccc(OC(F)(F)F)nc2)c(-c2cn3c(n2)CCC3)c1

nearest known ligand 0.47

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ TEAD1 P28347 2/20 0.47
▸ YAP1 P46937 1/20 0.47
▸ TNNI3K Q59H18 7/20 0.37
▸ WDR5 P61964 4/20 0.35
▸ ALDH3A1 P30838 2/20 0.33
▸ NPC1 O15118 2/20 0.33
▸ SMN1; SMN2 Q16637 2/20 0.33
▸ HTT P42858 1/20 0.33
▸ IDH1 O75874 1/20 0.33
▸ LMNA P02545 2/20 0.33
▸ MAPT P10636 1/20 0.33
▸ GAA P10253 1/20 0.32
▸ RAB9A P51151 1/20 0.32
▸ KMT2A Q03164 1/20 0.32

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
SCHEMBL24879865 0.85 TEAD1 (0.45) TEAD1YAP1TNNI3KWDR5ALDH3A1
SCHEMBL24880305 0.83 WDR5 (0.37) WDR5NPC1SMN1; SMN2LMNAMAPT
SCHEMBL30114128 0.82 TEAD1 (0.45) TEAD1YAP1TNNI3KALDH3A1IDH1
SCHEMBL30114368 0.82 TEAD1 (0.45) TEAD1YAP1TNNI3KALDH3A1IDH1
SCHEMBL24879946 0.82 TEAD1 (0.45) TEAD1YAP1TNNI3KALDH3A1IDH1
SCHEMBL24880016 0.82 TEAD1 (0.45) TEAD1YAP1TNNI3KALDH3A1IDH1
SCHEMBL24879863 0.79 TEAD1 (0.51) TEAD1YAP1TNNI3KMAPT
SCHEMBL24631145 0.79 TEAD1 (0.40) TEAD1YAP1TNNI3KWDR5SMN1; SMN2
SCHEMBL24879914 0.78 TEAD1 (0.44) TEAD1YAP1TNNI3KWDR5NPC1
SCHEMBL24879993 0.78 TEAD1 (0.43) TEAD1YAP1TNNI3KWDR5NPC1

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-115594680-A TEAD inhibitor 武汉人福创新药物研发中心有限公司(CN) 2023-01-13 — — CN disclosed
WO-2023280254-A1 TEAD INHIBITOR 武汉人福创新药物研发中心有限公司 2023-01-12 — — WO disclosed
WO-2023280254-A1 TEAD INHIBITOR 武汉人福创新药物研发中心有限公司 2023-01-12 — — WO disclosed
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