SCHEMBL6269983

SCHEMBL6269983

O=C(O)c1cc2c(Cl)c(Oc3ccc(O)c(S(=O)(=O)NC4CCC4)c3)ccc2[nH]1

nearest known ligand 0.47

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ THRB P10828 6/20 0.47
▸ THRA P10827 4/20 0.41
▸ ALDH1A1 P00352 1/20 0.38
▸ MCOLN3 Q8TDD5 1/20 0.38
▸ BRD4 O60885 3/20 0.36
▸ BRD2 P25440 1/20 0.36
▸ BRD3 Q15059 1/20 0.36
▸ RHEB Q15382 1/20 0.35
▸ SCN9A Q15858 1/20 0.35
▸ TDP1 Q9NUW8 1/20 0.35
▸ KMT2A Q03164 2/20 0.34
▸ SMN1; SMN2 Q16637 1/20 0.34
▸ TP53 P04637 2/20 0.33
▸ MAPT P10636 1/20 0.33
▸ CASP1 P29466 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
SCHEMBL6269989 0.88 THRB (0.46) THRBTHRAALDH1A1MCOLN3BRD4
SCHEMBL1641445 0.87 THRB (0.58) THRBTHRAALDH1A1MCOLN3BRD4
SCHEMBL1640579 0.83 THRB (0.59) THRBTHRARHEB
SCHEMBL6270967 0.81 THRB (0.51) THRBTHRABRD4BRD2BRD3
SCHEMBL1642115 0.80 THRB (0.47) THRBTHRAALDH1A1MCOLN3BRD4
SCHEMBL6794754 0.78 THRB (0.46) THRBTHRAALDH1A1MCOLN3BRD4
SCHEMBL6795305 0.77 THRB (0.47) THRBTHRAALDH1A1MCOLN3BRD4
SCHEMBL6274988 0.76 THRB (0.51) THRBTHRAALDH1A1BRD4BRD2
SCHEMBL1640702 0.76 THRB (0.47) THRBTHRABRD4BRD2BRD3
SCHEMBL6272088 0.72 THRB (0.43) THRBTHRAALDH1A1BRD4BRD2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1297833-B1 Indole carboxylic acids as thyroid receptor ligands PFIZER PROD INC (US) 2005-12-21 — — EP claimed
Send feedback