SCHEMBL30842005

SCHEMBL30842005

NS(=O)(=O)Nc1cc(-c2cccc(-c3ccc(SC(F)(F)F)cc3)c2)ccc1O

nearest known ligand 0.49

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
KIF11 P52732 10/20 0.49
HSD17B2 P37059 1/20 0.44
ACLY P53396 6/20 0.43
KDM4E B2RXH2 1/20 0.38
APOBEC3A P31941 1/20 0.38
GFER P55789 1/20 0.38
HDAC1 Q13547 1/20 0.38
APOBEC3G Q9HC16 1/20 0.38
ERAP1 Q9NZ08 1/20 0.38
CA12 O43570 1/20 0.38
CA2 P00918 1/20 0.38
CA9 Q16790 1/20 0.38

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
SCHEMBL30745879 0.82 KIF11 (0.50) KIF11ERAP1CA2
SCHEMBL30745857 0.67 STING1 (0.60) KIF11HSD17B2KDM4EGFERAPOBEC3G
SCHEMBL5531430 0.66 KIF11 (1.00) KIF11ERAP1CA2
SCHEMBL28668712 0.66 CA2 (0.48) HSD17B2ACLYHDAC1ERAP1CA12
SCHEMBL5620006 0.66 ALDH1A1 (0.54) KIF11KDM4E
SCHEMBL4659819 0.64 KIF11 (0.63) KIF11HSD17B2KDM4ECA12CA2
SCHEMBL23212313 0.63 KIF11 (0.60) KIF11CA2
SCHEMBL5525973 0.63 KIF11 (0.74) KIF11ERAP1CA2
SCHEMBL21759166 0.63 LMNA (0.39) KIF11KDM4E
SCHEMBL28099220 0.63 ALOX5 (0.52) KIF11HSD17B2KDM4EAPOBEC3AGFER

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2024067560-A1 SULFONAMIDE COMPOUND AND MEDICAL USE THEREOF 中国药科大学 2024-04-04 WO disclosed