SCHEMBL30410558

SCHEMBL30410558

CNS(=O)(=O)c1ccc(Nc2ccc(C(F)(F)F)cc2)c(C#N)c1

nearest known ligand 0.56

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ TEAD1 P28347 3/20 0.56
▸ YAP1 P46937 1/20 0.56
▸ TNNI3K Q59H18 4/20 0.50
▸ KIF11 P52732 2/20 0.47
▸ ALDH3A1 P30838 3/20 0.46
▸ MAPK1 P28482 2/20 0.43
▸ MEN1 O00255 1/20 0.43
▸ ALOX15 P16050 1/20 0.43
▸ KMT2A Q03164 1/20 0.43
▸ MAPT P10636 2/20 0.41
▸ PLA2G7 Q13093 1/20 0.41
▸ AKR1C3 P42330 1/20 0.39
▸ AKR1C2 P52895 1/20 0.39
▸ ALDH1A1 P00352 1/20 0.39
▸ TEAD4 Q15561 1/20 0.38
▸ TEAD2 Q15562 1/20 0.38

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
SCHEMBL20779642 1.00 TEAD1 (0.56) TEAD1YAP1TNNI3KKIF11ALDH3A1
SCHEMBL20779892 0.82 TEAD1 (0.62) TEAD1YAP1TNNI3KKIF11ALDH3A1
SCHEMBL22635666 0.78 ALDH1A1 (0.58) TEAD1YAP1TNNI3KKIF11MAPK1
SCHEMBL22719765 0.78 TEAD1 (0.56) TEAD1YAP1TNNI3KKIF11ALDH3A1
SCHEMBL29504945 0.78 TEAD1 (0.56) TEAD1YAP1TNNI3KKIF11ALDH3A1
SCHEMBL20552788 0.78 LRRK2 (0.49) TEAD1KIF11MAPK1MEN1KMT2A
SCHEMBL20766190 0.78 MMP1 (0.46) KIF11PLA2G7AKR1C3AKR1C2ALDH1A1
SCHEMBL20766837 0.76 TEAD1 (0.54) TEAD1YAP1TNNI3KALDH3A1MAPK1
SCHEMBL20552318 0.76 LRRK2 (0.50) TEAD1KIF11MAPK1MEN1KMT2A
SCHEMBL29074795 0.75 BCL6 (0.59) KIF11MAPK1MEN1KMT2AMAPT

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 1 patent. 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
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