SCHEMBL26980463

SCHEMBL26980463

NS(=O)(=O)c1cn(OC(F)F)c2ccccc12

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CA2 P00918 6/20 0.38
▸ CA1 P00915 5/20 0.38
▸ CA9 Q16790 5/20 0.38
▸ LDHA P00338 1/20 0.37
▸ HTR6 P50406 2/20 0.34
▸ CA12 O43570 3/20 0.33
▸ CA5A P35218 2/20 0.33
▸ CA4 P22748 2/20 0.33
▸ CA6 P23280 2/20 0.33
▸ HSD17B10 Q99714 2/20 0.33
▸ CYP2C9 P11712 2/20 0.33
▸ KDM4E B2RXH2 1/20 0.33
▸ ALDH1A1 P00352 1/20 0.33
▸ HPGD P15428 1/20 0.33
▸ CA7 P43166 1/20 0.33
▸ CA14 Q9ULX7 1/20 0.33
▸ CA5B Q9Y2D0 1/20 0.33
▸ CDK2 P24941 1/20 0.33
▸ L3MBTL1 Q9Y468 1/20 0.33
▸ BRD4 O60885 1/20 0.32

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
SCHEMBL30723491 0.74 CA2 (0.44) CA2CA1CA9LDHAHTR6
SCHEMBL28315168 0.74 CA2 (0.44) CA2CA1CA9LDHAHTR6
SCHEMBL26980305 0.73 CA2 (0.38) CA2CA1CA9LDHAHTR6
SCHEMBL20673909 0.70 LDHA (0.47) CA2CA1CA9LDHAHTR6
SCHEMBL2173879 0.70 CA2 (0.54) CA2CA1CA9ALDH1A1CDK2
SCHEMBL26979956 0.67 CA2 (0.42) CA2CA1CA9LDHAHTR6
SCHEMBL29651324 0.66 CA12 (0.63) CA2CA1CA9HTR6CA12
SCHEMBL22864562 0.66 CA12 (0.63) CA2CA1CA9HTR6CA12
SCHEMBL2174800 0.65 CNR2 (0.51) HTR6
SCHEMBL31399849 0.65 FTO (0.39) CA2CA1CA9LDHAHTR6

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
EP-4298092-A1 NOVEL PYRIMIDIN-2-YL SULFONAMIDE DERIVATIVES F. Hoffmann-La Roche AG (CH) 2024-01-03 — — EP claimed
WO-2022180136-A1 NOVEL PYRIMIDIN-2-YL SULFONAMIDE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2022-09-01 — — WO claimed
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