SCHEMBL6828628

SCHEMBL6828628

O=C(Oc1csc(C(F)(F)F)c1)c1sc(C(F)(F)F)cc1O

nearest known ligand 0.33

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
GSK3B P49841 1/20 0.33

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
SCHEMBL281723 0.75 RAF1 (0.42) GSK3B
SCHEMBL6828627 0.74 DAO (0.37)
SCHEMBL27525346 0.73 KDM4E (0.37)
SCHEMBL833851 0.71 DAO (0.46)
SCHEMBL6223675 0.65 DAO (0.39)
SCHEMBL24212569 0.64 RAF1 (0.39)
SCHEMBL7253081 0.64 KDM4E (0.35)
SCHEMBL3376870 0.61 NQO1 (0.39)
SCHEMBL15327693 0.61 NOTUM (0.33)
SCHEMBL15111027 0.61 NOTUM (0.50)

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-1442030-A1 THIOPENE- AMD THIAZOLESULFONAMIDES AS ANTINEOPLASTIC AGENTS ELI LILLY AND COMPANY (US) 2004-08-04 EP disclosed
WO-2003035629-A1 THIOPENE- AMD THIAZOLESULFONAMIDES AS ANTINEOPLASTIC AGENTS ELI LILLY AND COMPANY (US) 2003-05-01 WO disclosed