SCHEMBL29901822

SCHEMBL29901822

CNS(=O)(=O)c1ccc(Nc2ccc(C(F)(F)F)cc2)c(-c2nnn(C)n2)c1

nearest known ligand 0.64

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ TEAD1 P28347 2/20 0.64
▸ YAP1 P46937 1/20 0.64
▸ TNNI3K Q59H18 6/20 0.46
▸ ALDH3A1 P30838 3/20 0.43
▸ MAPT P10636 1/20 0.39
▸ MEN1 O00255 1/20 0.37
▸ ALOX15 P16050 1/20 0.37
▸ MAPK1 P28482 1/20 0.37
▸ KMT2A Q03164 1/20 0.37
▸ ABCG2 Q9UNQ0 1/20 0.37
▸ AKR1C3 P42330 1/20 0.36
▸ AKR1C2 P52895 1/20 0.36
▸ CCR9 P51686 1/20 0.36
▸ MOGAT2 Q3SYC2 1/20 0.36
▸ MGAT2 Q10469 2/20 0.36
▸ OXTR P30559 1/20 0.35
▸ AVPR1A P37288 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
SCHEMBL20766874 1.00 TEAD1 (0.64) TEAD1YAP1TNNI3KALDH3A1MAPT
SCHEMBL25789977 0.92 TEAD1 (0.55) TEAD1YAP1TNNI3KALDH3A1MAPT
SCHEMBL20766428 0.90 TEAD1 (0.52) TEAD1YAP1TNNI3KMAPTMEN1
SCHEMBL29901803 0.90 TEAD1 (0.52) TEAD1YAP1TNNI3KMAPTMEN1
SCHEMBL20766875 0.89 ALDH3A1 (0.54) TEAD1YAP1TNNI3KALDH3A1
SCHEMBL20779781 0.89 MAPT (0.53) TEAD1YAP1TNNI3KMAPTMEN1
SCHEMBL29901787 0.89 MAPT (0.53) TEAD1YAP1TNNI3KMAPTMEN1
SCHEMBL20779643 0.88 TEAD1 (0.59) TEAD1YAP1TNNI3KALDH3A1MAPT
SCHEMBL29901827 0.87 TEAD1 (0.49) TEAD1YAP1TNNI3KALDH3A1MAPK1
SCHEMBL20766297 0.87 TEAD1 (0.49) TEAD1YAP1TNNI3KALDH3A1MAPK1

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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