SCHEMBL29901817

SCHEMBL29901817

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

nearest known ligand 0.77

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ TEAD1 P28347 4/20 0.77
▸ YAP1 P46937 1/20 0.77
▸ ALDH3A1 P30838 3/20 0.39
▸ TNNI3K Q59H18 8/20 0.38
▸ TSHR P16473 1/20 0.36
▸ L3MBTL1 Q9Y468 1/20 0.36
▸ OXTR P30559 1/20 0.35
▸ TLR2 O60603 1/20 0.35
▸ TLR1 Q15399 1/20 0.35
▸ KAT5 Q92993 1/20 0.35

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
SCHEMBL20767350 1.00 TEAD1 (0.77) TEAD1YAP1ALDH3A1TNNI3KTSHR
SCHEMBL25790377 0.93 TEAD1 (0.75) TEAD1YAP1ALDH3A1TNNI3KTSHR
SCHEMBL20766878 0.90 TEAD1 (0.67) TEAD1YAP1TNNI3K
SCHEMBL29901832 0.90 TEAD1 (0.67) TEAD1YAP1TNNI3K
SCHEMBL29438871 0.87 TEAD1 (1.00) TEAD1YAP1ALDH3A1TNNI3KTSHR
SCHEMBL20779435 0.87 TEAD1 (1.00) TEAD1YAP1ALDH3A1TNNI3KTSHR
SCHEMBL25790336 0.84 TEAD1 (0.77) TEAD1YAP1ALDH3A1TNNI3K
SCHEMBL22718256 0.84 TEAD1 (0.80) TEAD1YAP1ALDH3A1TNNI3KTSHR
SCHEMBL29438870 0.84 TEAD1 (0.80) TEAD1YAP1ALDH3A1TNNI3KTSHR
SCHEMBL24788977 0.83 TEAD1 (0.82) TEAD1YAP1ALDH3A1TNNI3KTSHR

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
CN-111542315-B Benzosulfonyl compounds 维瓦斯治疗公司 2023-05-12 — — CN disclosed
EP-3691623-B1 BENZOSULFONYL COMPOUNDS VIVACE THERAPEUTICS INC (US) 2022-10-05 — — EP disclosed
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