SCHEMBL9868864

SCHEMBL9868864

NS(=O)(=O)c1nc(-c2ccc(C(F)(F)F)cc2)ns1

nearest known ligand 0.51

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
KIF11 P52732 10/20 0.51
PTGS2 P35354 4/20 0.43
PTGS1 P23219 2/20 0.43
CA1 P00915 2/20 0.40
CA2 P00918 2/20 0.40
CA9 Q16790 1/20 0.40
MKNK1 Q9BUB5 1/20 0.40
MKNK2 Q9HBH9 1/20 0.40
CYP2C9 P11712 1/20 0.39
POLB P06746 1/20 0.39
PDPK1 O15530 1/20 0.39

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
SCHEMBL9868097 0.80 CYP19A1 (0.58) CA1CA2CA9
SCHEMBL9866053 0.79 CA2 (0.43) PTGS2PTGS1CA1CA2CA9
SCHEMBL9869169 0.79 CA2 (0.47) PTGS2CA1CA2CA9
SCHEMBL9867816 0.79 HSD17B1 (0.46) CA1CA2CA9MKNK1MKNK2
SCHEMBL9866328 0.79 NPC1 (0.49) PTGS2PTGS1CA1CA2CA9
SCHEMBL9867067 0.78 ADORA3 (0.56) CA1CA2CA9POLB
SCHEMBL9867503 0.75 ADORA3 (0.52) PTGS2PTGS1CA1CA2CA9
SCHEMBL9868776 0.75 CYP19A1 (0.40) KIF11CA1CA2CA9CYP2C9
SCHEMBL9866017 0.75 PSMB8 (0.43) CA1CA2CA9CYP2C9
SCHEMBL9867247 0.74 CA2 (0.54) CA1CA2CA9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4985450-A TREATMENT OF GLAUCOMA AVENTIS PHARMACEUTICALS INC. 1991-01-15 US claimed
US-4985450-A TREATMENT OF GLAUCOMA AVENTIS PHARMACEUTICALS INC. 1991-01-15 US disclosed
US-4873239-A GLAUCOMA TREATMENT HOECHST-ROUSSEL PHARMACEUTICALS, INC. (US) 1989-10-10 US disclosed
EP-0276822-A1 Arylthiadiazolylsulfonamides and derivatives, a process for their preparation and their use as medicaments HOECHST-ROUSSEL PHARMACEUTICALS INCORPORATED (US) 1988-08-03 EP disclosed
US-4758578-A Arylthiadiazolylsulfonamides, pharmaceutical compositions and use HOECHST ROUSSEL PHARMACEUTICALS, INC. (US) 1988-07-19 US disclosed