SCHEMBL9866517

SCHEMBL9866517

CCOc1ccc(-c2nsc(S(N)(=O)=O)n2)cc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA2 P00918 4/20 0.51
CA1 P00915 3/20 0.51
CA12 O43570 2/20 0.51
CA7 P43166 2/20 0.51
CA9 Q16790 2/20 0.51
KDM4E B2RXH2 4/20 0.51
LMNA P02545 1/20 0.51
CA3 P07451 1/20 0.51
PKM P14618 1/20 0.51
CA4 P22748 1/20 0.51
CA6 P23280 1/20 0.51
CA5A P35218 1/20 0.51
KMT2A Q03164 1/20 0.51
HIF1A Q16665 1/20 0.51
CA13 Q8N1Q1 1/20 0.51
TDP1 Q9NUW8 1/20 0.51
CA14 Q9ULX7 1/20 0.51
CA5B Q9Y2D0 1/20 0.51
TP53 P04637 5/20 0.49
MAPT P10636 3/20 0.49

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
SCHEMBL9867503 0.84 ADORA3 (0.52) CA2CA1CA12CA9CA4
SCHEMBL9867555 0.83 TP53 (0.50) CA2CA1CA12CA7CA9
SCHEMBL9866053 0.79 CA2 (0.43) CA2CA1CA12CA7CA9
SCHEMBL9868652 0.78 SOS1 (0.50) CA2CA1CA12CA9ALDH1A1
SCHEMBL9865836 0.76 CA2 (0.55) CA2
SCHEMBL9867451 0.75 ALDH1A1 (0.49) KDM4EPKMKMT2ATDP1TP53
SCHEMBL9867816 0.75 HSD17B1 (0.46) CA2CA1CA12CA7CA9
SCHEMBL9869169 0.75 CA2 (0.47) CA2CA1CA12CA9LMNA
SCHEMBL9869251 0.75 MAPT (0.41) KDM4ELMNAKMT2ATP53MAPT
SCHEMBL9868776 0.75 CYP19A1 (0.40) CA2CA1CA12CA9KDM4E

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