SCHEMBL29901779

SCHEMBL29901779

CCn1cnc(-c2cc(S(=O)(=O)NC)ccc2Nc2cccc(C(F)(F)F)c2)c1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TEAD1 P28347 3/20 0.62
▸ YAP1 P46937 1/20 0.62
▸ MAPT P10636 3/20 0.53
▸ TNNI3K Q59H18 5/20 0.45
▸ IDH2 P48735 4/20 0.44
▸ BRAF P15056 2/20 0.44
▸ EGFR P00533 1/20 0.42
▸ KDM4E B2RXH2 2/20 0.41
▸ MEN1 O00255 2/20 0.41
▸ KMT2A Q03164 2/20 0.41
▸ GAA P10253 1/20 0.41
▸ FFAR1 O14842 1/20 0.40
▸ CDK1 P06493 1/20 0.40
▸ CCNB1 P14635 1/20 0.40
▸ CCNA2 P20248 1/20 0.40
▸ CDK2 P24941 1/20 0.40
▸ CDK7 P50613 1/20 0.40
▸ CCNH P51946 1/20 0.40
▸ CCNA1 P78396 1/20 0.40
▸ FFAR4 Q5NUL3 1/20 0.40

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
SCHEMBL20767446 1.00 TEAD1 (0.62) TEAD1YAP1MAPTTNNI3KIDH2
SCHEMBL20767405 0.90 TEAD1 (0.77) TEAD1YAP1MAPTTNNI3KTLR2
SCHEMBL29901814 0.90 TEAD1 (0.77) TEAD1YAP1MAPTTNNI3KTLR2
SCHEMBL20766513 0.88 TEAD1 (0.80) TEAD1YAP1MAPTTNNI3KIDH2
SCHEMBL20766734 0.84 TEAD1 (0.60) TEAD1YAP1MAPTTNNI3KIDH2
SCHEMBL29901824 0.84 TEAD1 (0.60) TEAD1YAP1MAPTTNNI3KIDH2
SCHEMBL20767258 0.79 TEAD1 (0.85) TEAD1YAP1MAPTTNNI3KIDH2
SCHEMBL25790239 0.78 TEAD1 (0.54) TEAD1YAP1MAPTTNNI3KIDH2
SCHEMBL29901821 0.77 MAPT (0.55) TEAD1YAP1MAPTTNNI3KIDH2
SCHEMBL20779791 0.77 MAPT (0.55) TEAD1YAP1MAPTTNNI3KIDH2

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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