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SCHEMBL5137902

SCHEMBL5137902

CCNC(=O)c1nc2ccc(Oc3c(Br)cc(CC(F)C(=O)O)cc3Br)cc2n1CC.CCn1c(CC(=O)NC)nc2ccc(Oc3c(Br)cc(CC(F)C(=O)O)cc3Br)cc21

nearest known ligand 0.35

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ ACSS2 Q9NR19 3/20 0.35
▸ THRA P10827 12/20 0.34
▸ THRB P10828 12/20 0.34
▸ RAF1 P04049 1/20 0.32
▸ BRAF P15056 1/20 0.32
▸ LMNA P02545 1/20 0.31
▸ MAPK1 P28482 1/20 0.31
▸ SMN1; SMN2 Q16637 1/20 0.31

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
SCHEMBL5137904 0.94 ACSS2 (0.33) ACSS2THRATHRBLMNAMAPK1
SCHEMBL3130577 0.93 ACSS2 (0.40) ACSS2THRATHRBLMNAMAPK1
SCHEMBL3140982 0.92 ACSS2 (0.37) ACSS2THRATHRBRAF1BRAF
SCHEMBL3133600 0.81 ACSS2 (0.40) ACSS2THRATHRB
SCHEMBL3142258 0.80 THRA (0.36) ACSS2THRATHRB
SCHEMBL3136098 0.79 ACSS2 (0.35) ACSS2THRATHRB
SCHEMBL3128023 0.79 ACSS2 (0.35) ACSS2THRATHRB
SCHEMBL3127197 0.78 THRA (0.35) ACSS2THRATHRB
SCHEMBL3137672 0.77 RAF1 (0.37) ACSS2THRATHRBRAF1BRAF
SCHEMBL3142133 0.77 POLB (0.45) ACSS2THRATHRBRAF1BRAF

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-1899309-A1 HETEROCYCLIC COMPOUNDS AS AGONISTS FOR THE THYROID RECEPTOR KARO BIO AB (SE) 2008-03-19 — — EP disclosed
WO-2007003419-A1 HETEROCYCLIC COMPOUNDS AS AGONISTS FOR THE THYROID RECEPTOR KARO BIO AB (SE) 2007-01-11 — — WO disclosed