SCHEMBL24788976

SCHEMBL24788976

CNS(=O)(=O)c1ccc(Nc2ccc(C(F)(F)OC3CC3)cc2)c(-c2cn(C)cn2)c1

nearest known ligand 0.75

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ TEAD1 P28347 4/20 0.75
▸ YAP1 P46937 1/20 0.75
▸ TNNI3K Q59H18 8/20 0.37
▸ TSHR P16473 1/20 0.37
▸ L3MBTL1 Q9Y468 1/20 0.37
▸ ALDH3A1 P30838 3/20 0.36
▸ RORC P51449 2/20 0.36
▸ TLR2 O60603 1/20 0.34
▸ TLR1 Q15399 1/20 0.34
▸ BRD4 O60885 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
SCHEMBL24788978 0.89 TEAD1 (0.61) TEAD1YAP1TNNI3KTLR2TLR1
SCHEMBL30129838 0.89 TEAD1 (0.61) TEAD1YAP1TNNI3KTLR2TLR1
SCHEMBL24788977 0.88 TEAD1 (0.82) TEAD1YAP1TNNI3KTSHRL3MBTL1
SCHEMBL29438871 0.86 TEAD1 (1.00) TEAD1YAP1TNNI3KTSHRL3MBTL1
SCHEMBL20779435 0.86 TEAD1 (1.00) TEAD1YAP1TNNI3KTSHRL3MBTL1
SCHEMBL24791423 0.83 TEAD1 (0.50) TEAD1YAP1TSHRL3MBTL1
SCHEMBL30129873 0.82 TEAD1 (0.49) TEAD1YAP1TNNI3KTSHRL3MBTL1
SCHEMBL20767258 0.80 TEAD1 (0.85) TEAD1YAP1TNNI3KTSHRL3MBTL1
SCHEMBL25790336 0.80 TEAD1 (0.77) TEAD1YAP1TNNI3KALDH3A1
SCHEMBL20767350 0.80 TEAD1 (0.77) TEAD1YAP1TNNI3KTSHRL3MBTL1

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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