SCHEMBL30129873

SCHEMBL30129873

CNS(=O)(=O)c1cccc(-c2cn(C)cn2)c1Nc1ccc(C(F)(F)OC2CC2)cc1

nearest known ligand 0.49

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ TEAD1 P28347 4/20 0.49
▸ YAP1 P46937 1/20 0.49
▸ TSHR P16473 1/20 0.36
▸ L3MBTL1 Q9Y468 1/20 0.36
▸ TNNI3K Q59H18 1/20 0.35
▸ ALDH1A1 P00352 1/20 0.33
▸ MAPK1 P28482 1/20 0.33
▸ SMN1; SMN2 Q16637 1/20 0.33
▸ FPR2 P25090 1/20 0.32
▸ SLC6A9 P48067 4/20 0.31
▸ MAPT P10636 2/20 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
SCHEMBL30129695 0.89 TEAD1 (0.42) TEAD1YAP1TSHRL3MBTL1TNNI3K
SCHEMBL24788976 0.82 TEAD1 (0.75) TEAD1YAP1TSHRL3MBTL1TNNI3K
SCHEMBL24791423 0.73 TEAD1 (0.50) TEAD1YAP1TSHRL3MBTL1
SCHEMBL24788978 0.73 TEAD1 (0.61) TEAD1YAP1TNNI3KMAPT
SCHEMBL30129838 0.73 TEAD1 (0.61) TEAD1YAP1TNNI3KMAPT
SCHEMBL24788977 0.69 TEAD1 (0.82) TEAD1YAP1TSHRL3MBTL1TNNI3K
SCHEMBL31332012 0.68 LMNA (0.48) TEAD1YAP1ALDH1A1
SCHEMBL20779435 0.66 TEAD1 (1.00) TEAD1YAP1TSHRL3MBTL1TNNI3K
SCHEMBL29438871 0.66 TEAD1 (1.00) TEAD1YAP1TSHRL3MBTL1TNNI3K
SCHEMBL24791425 0.64 TEAD1 (0.40) TEAD1YAP1

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-2022258040-A1 HETEROCYCLIC COMPOUND FOR TEAD INHIBITOR 武汉人福创新药物研发中心有限公司 2022-12-15 — — WO disclosed
CN-115466243-A Heterocyclic compounds for TEAD inhibitors 武汉人福创新药物研发中心有限公司 2022-12-13 — — CN disclosed
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