SCHEMBL30480031

SCHEMBL30480031

C#CCOc1ccc(C=C(C(N)=O)c2nccs2)cc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOB P27338 3/20 0.39
PTGS2 P35354 2/20 0.39
MAOA P21397 2/20 0.39
CA12 O43570 2/20 0.37
CA2 P00918 2/20 0.37
CA9 Q16790 2/20 0.37
CA1 P00915 1/20 0.37
CA4 P22748 1/20 0.37
CA7 P43166 1/20 0.37
HDAC3 O15379 2/20 0.36
HDAC2 Q92769 2/20 0.36
HDAC8 Q9BY41 2/20 0.36
NCOR2 Q9Y618 2/20 0.36
PLA2G4A P47712 2/20 0.35
CHRNB2 P17787 1/20 0.35
CHRNB4 P30926 1/20 0.35
CHRNA3 P32297 1/20 0.35
CHRNA4 P43681 1/20 0.35
PARP1 P09874 1/20 0.35
ALDH1A1 P00352 3/20 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
SCHEMBL3652897 0.77 NPC1 (0.48) PTGS2PLA2G4AALDH1A1KDM4ENPC1
SCHEMBL30069262 0.77 KDM4E (0.49) MAOBPTGS2MAOACA12CA2
SCHEMBL17844700 0.68 ALDH1A1 (0.55) PLA2G4AALDH1A1MAPTRAB9ARBBP9
SCHEMBL19974187 0.66 ALDH1A1 (0.48) PLA2G4AALDH1A1MAPTRBBP9KMT2A
SCHEMBL26208697 0.66 MAOB (0.49) MAOBPTGS2MAOACA12CA2
SCHEMBL20273256 0.65 PARP10 (0.59) MAOBCA12CA2CA9CA1
SCHEMBL825205 0.64 MAOA (0.54) MAOBPTGS2MAOACA12CA2
SCHEMBL20665981 0.64 SAE1 (0.47) CA2CA1CA4CA7HDAC3
SCHEMBL540825 0.64 NR1H4 (0.62) MAOBPTGS2MAOAHDAC3HDAC2
SCHEMBL18153585 0.64 KMT2A (0.53) PLA2G4AALDH1A1KDM4ENPC1MAPT

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-4452956-A1 BENZENE SULFONAMIDE THIAZOLE COMPOUNDS AND THEIR USE FOR THE TREATMENT OF CANCERS INSERM (Institut National de la Santé et de la Recherche Médicale) (FR) 2024-10-30 EP disclosed
WO-2023118373-A1 BENZENE SULFONAMIDE THIAZOLE COMPOUNDS AND THEIR USE FOR THE TREATMENT OF CANCERS INSERM (Institut National de la Santé et de la Recherche Médicale) (FR) 2023-06-29 WO disclosed