SCHEMBL8618732

SCHEMBL8618732

CCCCc1oc2ccc(NC(=O)c3ccc(F)cc3)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
▸ KDM7A Q6ZMT4 2/20 0.49
▸ ALDH1A1 P00352 2/20 0.49
▸ TP53 P04637 2/20 0.49
▸ CYP3A4 P08684 2/20 0.49
▸ SMN1; SMN2 Q16637 2/20 0.49
▸ TDP1 Q9NUW8 2/20 0.49
▸ MLNR O43193 1/20 0.49
▸ CACNA1F O60840 1/20 0.49
▸ PHF2 O75151 1/20 0.49
▸ ABCB11 O95342 1/20 0.49
▸ NR3C1 P04150 1/20 0.49
▸ ERBB2 P04626 1/20 0.49
▸ CYP1A2 P05177 1/20 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
SCHEMBL8619765 0.93 THRA (0.67) THRATHRBKDM5AKDM4AING2
SCHEMBL8620054 0.91 THRA (0.65) THRATHRBKDM5AKDM4AING2
SCHEMBL8619474 0.88 THRA (0.51) THRATHRBSIRT3ABCB11CHRM2
SCHEMBL8655206 0.88 THRA (0.71) THRATHRBKDM5AKDM4AING2
SCHEMBL8619478 0.87 THRA (0.48) THRATHRBKDM5AKDM4AING2
SCHEMBL8621626 0.85 THRA (0.68) THRATHRBKDM5AKDM4AING2
SCHEMBL8622465 0.84 THRA (0.66) THRATHRBKDM5AKDM4AING2
SCHEMBL8618658 0.83 THRA (0.53) THRATHRBSIRT3CHRM2ADRA2A
SCHEMBL8620706 0.82 THRA (0.66) THRATHRBKDM5AKDM4AING2
SCHEMBL8622473 0.82 THRA (0.51) THRATHRBSIRT3ABCB11CHRM2

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
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