SCHEMBL22116296

SCHEMBL22116296

CC1COCCN1c1cccc(S(=O)(=O)NC(=O)C2CC2)n1

nearest known ligand 0.44

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ ATR Q13535 6/20 0.44
▸ ATRIP Q8WXE1 6/20 0.44
▸ CHEK1 O14757 5/20 0.44
▸ PDCD1 Q15116 5/20 0.44
▸ CD274 Q9NZQ7 5/20 0.44
▸ ACACB O00763 1/20 0.44
▸ PIK3CD O00329 5/20 0.44
▸ PIK3CA P42336 5/20 0.44
▸ MTOR P42345 2/20 0.43
▸ MAPT P10636 2/20 0.41
▸ GSK3B P49841 2/20 0.41
▸ HTR3A P46098 2/20 0.40
▸ KIF18A Q8NI77 2/20 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
SCHEMBL22116377 0.78 ATR (0.48) ATRATRIPCHEK1PDCD1CD274
SCHEMBL22116376 0.78 ATR (0.48) ATRATRIPCHEK1PDCD1CD274
SCHEMBL22116346 0.77 KIF18A (0.50) KIF18A
SCHEMBL22116295 0.75 HPGD (0.36) —
SCHEMBL22116332 0.74 HSD11B1 (0.44) ACACBKIF18A
SCHEMBL22116413 0.74 HPGD (0.39) ACACBKIF18A
SCHEMBL22116414 0.73 ABL1 (0.43) ACACBKIF18A
SCHEMBL22116366 0.73 ABL1 (0.43) ACACBKIF18A
SCHEMBL22116307 0.73 KIF18A (0.42) ACACBKIF18A
SCHEMBL30611688 0.73 ABL1 (0.43) ACACBKIF18A

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3897832-A1 N-(PYRIDIN-2-YLSULFONYL)CYCLOPROPANECARBOXAMIDE DERIVATIVES AND THEIR USE IN THE TREATMENT OF A CFTR MEDIATED DISEASE Novartis AG (CH) 2021-10-27 — — EP claimed
WO-2020128768-A1 N-(PYRIDIN-2-YLSULFONYL)CYCLOPROPANECARBOXAMIDE DERIVATIVES AND THEIR USE IN THE TREATMENT OF A CFTR MEDIATED DISEASE NOVARTIS AG (CH) 2020-06-25 — — WO claimed
EP-3897832-A1 N-(PYRIDIN-2-YLSULFONYL)CYCLOPROPANECARBOXAMIDE DERIVATIVES AND THEIR USE IN THE TREATMENT OF A CFTR MEDIATED DISEASE Novartis AG (CH) 2021-10-27 — — EP disclosed
WO-2020128768-A1 N-(PYRIDIN-2-YLSULFONYL)CYCLOPROPANECARBOXAMIDE DERIVATIVES AND THEIR USE IN THE TREATMENT OF A CFTR MEDIATED DISEASE NOVARTIS AG (CH) 2020-06-25 — — WO disclosed
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