SCHEMBL8764593

SCHEMBL8764593

COc1ccc(C(=O)Nc2ccc3occ(C(=O)c4cc(I)c(OCC(=O)O)c(I)c4)c3c2)cc1

nearest known ligand 0.52

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ SMN1; SMN2 Q16637 3/20 0.52
▸ TP53 P04637 1/20 0.52
▸ RECQL P46063 1/20 0.52
▸ NPC1 O15118 3/20 0.51
▸ KMT2A Q03164 3/20 0.50
▸ KDM4E B2RXH2 1/20 0.50
▸ MEN1 O00255 1/20 0.50
▸ MAPT P10636 1/20 0.49
▸ RAB9A P51151 2/20 0.48
▸ L3MBTL1 Q9Y468 1/20 0.48
▸ TSHR P16473 1/20 0.48
▸ MAOB P27338 6/20 0.44
▸ THRA P10827 1/20 0.43
▸ THRB P10828 1/20 0.43
▸ ACHE P22303 1/20 0.43
▸ CYP2C9 P11712 1/20 0.42
▸ RXFP1 Q9HBX9 1/20 0.42
▸ ALDH1A1 P00352 1/20 0.42

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
SCHEMBL8764638 0.90 SMN1; SMN2 (0.52) SMN1; SMN2TP53RECQLNPC1KMT2A
SCHEMBL8617561 0.82 THRB (0.47) SMN1; SMN2TP53NPC1KMT2AKDM4E
SCHEMBL8620054 0.80 THRA (0.65) THRATHRB
SCHEMBL8617540 0.74 THRA (0.49) TP53KMT2AMEN1MAOBTHRA
SCHEMBL8622465 0.72 THRA (0.66) THRATHRB
SCHEMBL8763724 0.72 THRA (0.49) SMN1; SMN2TP53KMT2AKDM4EMEN1
SCHEMBL8624542 0.72 ASF1A (0.44) SMN1; SMN2TP53NPC1KDM4EMAPT
SCHEMBL8622612 0.72 THRB (0.37) SMN1; SMN2TP53NPC1KDM4EMAPT
SCHEMBL8619765 0.71 THRA (0.67) SMN1; SMN2TP53KMT2AMEN1MAPT
SCHEMBL8623690 0.71 THRA (0.50) THRATHRB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0775129-A1 3-BENZOYL BENZOFURAN DERIVATIVES AS THYROID HORMONE ANTAGONISTS KARO BIO AB (SE) 1997-05-28 — — EP claimed
WO-1996005190-A1 3-BENZOYL BENZOFURAN DERIVATIVES AS THYROID HORMONE ANTAGONISTS KARO BIO AB (SE) 1996-02-22 — — WO claimed
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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