SCHEMBL29648305

SCHEMBL29648305

COc1ccc(CN(C)S(=O)(=O)c2ccc(Nc3ncc(C(F)(F)F)cc3C)c(-c3cn(C)cn3)c2)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TEAD1 P28347 1/20 0.47
▸ YAP1 P46937 1/20 0.47
▸ MDM2 Q00987 1/20 0.39
▸ NPSR1 Q6W5P4 2/20 0.37
▸ MAPT P10636 1/20 0.37
▸ BMP1 P13497 2/20 0.37
▸ LMNA P02545 2/20 0.36
▸ SMN1; SMN2 Q16637 2/20 0.36
▸ KAT8 Q9H7Z6 1/20 0.35
▸ MEN1 O00255 1/20 0.35
▸ KMT2A Q03164 1/20 0.35
▸ KDM4E B2RXH2 1/20 0.35
▸ GAA P10253 1/20 0.35
▸ HTT P42858 1/20 0.35
▸ BRAF P15056 1/20 0.35
▸ TNNI3K Q59H18 1/20 0.35
▸ MMP1 P03956 3/20 0.35
▸ MMP9 P14780 3/20 0.35
▸ MMP13 P45452 3/20 0.35
▸ MAPK8 P45983 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
SCHEMBL24496354 1.00 TEAD1 (0.47) TEAD1YAP1MDM2NPSR1MAPT
SCHEMBL22718104 0.90 TEAD1 (0.49) TEAD1YAP1MDM2NPSR1MAPT
SCHEMBL29438921 0.90 TEAD1 (0.49) TEAD1YAP1MDM2NPSR1MAPT
SCHEMBL29438915 0.88 TEAD1 (0.49) TEAD1YAP1MDM2NPSR1MAPT
SCHEMBL22718251 0.88 TEAD1 (0.49) TEAD1YAP1MDM2NPSR1MAPT
SCHEMBL29438917 0.88 TEAD1 (0.49) TEAD1YAP1MDM2NPSR1MAPT
SCHEMBL22718289 0.85 TEAD1 (0.47) TEAD1YAP1MDM2NPSR1BMP1
SCHEMBL29438894 0.85 TEAD1 (0.47) TEAD1YAP1MDM2NPSR1BMP1
SCHEMBL22718146 0.85 TEAD1 (0.51) TEAD1YAP1BMP1LMNASMN1; SMN2
SCHEMBL29438859 0.85 TEAD1 (0.51) TEAD1YAP1BMP1LMNASMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2022120355-A1 TEAD DEGRADERS AND USES THEREOF Ikena Oncology, Inc. (US) 2022-06-09 — — WO disclosed
WO-2022120353-A1 TEAD INHIBITORS AND USES THEREOF Ikena Oncology, Inc. (US) 2022-06-09 — — WO disclosed
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