SCHEMBL8620706

SCHEMBL8620706

CCCCc1oc2ccc(NS(=O)(=O)C(F)(F)F)cc2c1C(=O)c1cc(I)c(OCC(=O)O)c(I)c1

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ THRA P10827 2/20 0.66
▸ THRB P10828 2/20 0.66
▸ KDM5A P29375 7/20 0.51
▸ KDM4A O75164 3/20 0.51
▸ ING2 Q9H160 1/20 0.51
▸ ABCB1 P08183 2/20 0.51
▸ SIRT3 Q9NTG7 5/20 0.51
▸ CHRM2 P08172 2/20 0.50
▸ ADRA2A P08913 2/20 0.50
▸ ADORA3 P0DMS8 2/20 0.50
▸ CHRM1 P11229 2/20 0.50
▸ DRD1 P21728 2/20 0.50
▸ SLC6A2 P23975 2/20 0.50
▸ SLC6A4 P31645 2/20 0.50
▸ ADRA1A P35348 2/20 0.50
▸ OPRM1 P35372 2/20 0.50
▸ DRD3 P35462 2/20 0.50
▸ SLC6A3 Q01959 2/20 0.50
▸ KCNH2 Q12809 2/20 0.50
▸ HRH3 Q9Y5N1 2/20 0.50

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
SCHEMBL8624416 0.87 THRA (0.49) THRATHRBCHRM2ADRA2AADORA3
SCHEMBL8624417 0.87 THRA (0.48) THRATHRBKDM5AKDM4AING2
SCHEMBL8624230 0.84 THRA (0.48) THRATHRBABCB1SIRT3TP53
SCHEMBL8655206 0.84 THRA (0.71) THRATHRBKDM5AKDM4AING2
SCHEMBL8618732 0.82 THRA (0.66) THRATHRBKDM5AKDM4AING2
SCHEMBL8621626 0.82 THRA (0.68) THRATHRBKDM5AKDM4AING2
SCHEMBL8619765 0.81 THRA (0.67) THRATHRBKDM5AKDM4AING2
SCHEMBL8625157 0.81 THRA (0.77) THRATHRBKDM5AKDM4AING2
SCHEMBL8622465 0.81 THRA (0.66) THRATHRBKDM5AKDM4AING2
SCHEMBL8620054 0.80 THRA (0.65) THRATHRBKDM5AKDM4AING2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5854282-A 3-benzoyl benzofuran derivatives as thyroid hormone antagonists KARO BIO AB (SE) 1998-12-29 — — US claimed
EP-0775129-B1 3-BENZOYL BENZOFURAN DERIVATIVES AS THYROID HORMONE ANTAGONISTS KAROBIO AB (SE) 1998-10-21 — — EP claimed
US-5854282-A 3-benzoyl benzofuran derivatives as thyroid hormone antagonists KARO BIO AB (SE) 1998-12-29 — — US disclosed
EP-0775129-B1 3-BENZOYL BENZOFURAN DERIVATIVES AS THYROID HORMONE ANTAGONISTS KAROBIO AB (SE) 1998-10-21 — — EP disclosed
EP-0775129-A1 3-BENZOYL BENZOFURAN DERIVATIVES AS THYROID HORMONE ANTAGONISTS KARO BIO AB (SE) 1997-05-28 — — EP disclosed
WO-1996005190-A1 3-BENZOYL BENZOFURAN DERIVATIVES AS THYROID HORMONE ANTAGONISTS KARO BIO AB (SE) 1996-02-22 — — WO disclosed
Send feedback