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SCHEMBL5137904

SCHEMBL5137904

CCNC(=O)c1nc2ccc(Oc3c(Br)cc(CC(F)C(=O)OC(=O)C(F)Cc4cc(Br)c(Oc5ccc6nc(CC(=O)NC)n(CC)c6c5)c(Br)c4)cc3Br)cc2n1CC

nearest known ligand 0.34

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ ACSS2 Q9NR19 2/20 0.33
▸ LMNA P02545 1/20 0.32
▸ MAPK1 P28482 1/20 0.32
▸ SMN1; SMN2 Q16637 1/20 0.32
▸ MTNR1A P48039 1/20 0.32
▸ MTNR1B P49286 1/20 0.32
▸ THRA P10827 10/20 0.32
▸ THRB P10828 10/20 0.32
▸ CNR2 P34972 1/20 0.30

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
SCHEMBL5137902 0.94 ACSS2 (0.35) ACSS2LMNAMAPK1SMN1; SMN2THRA
SCHEMBL3130577 0.86 ACSS2 (0.40) ACSS2LMNAMAPK1SMN1; SMN2THRA
SCHEMBL3140982 0.85 ACSS2 (0.37) ACSS2THRATHRB
SCHEMBL3133600 0.75 ACSS2 (0.40) ACSS2THRATHRB
SCHEMBL5135835 0.74 NTRK1 (0.31) —
SCHEMBL3142258 0.73 THRA (0.36) ACSS2THRATHRB
SCHEMBL3128023 0.72 ACSS2 (0.35) ACSS2THRATHRB
SCHEMBL3136098 0.72 ACSS2 (0.35) ACSS2THRATHRB
SCHEMBL3127197 0.72 THRA (0.35) ACSS2THRATHRB
SCHEMBL3137672 0.70 RAF1 (0.37) ACSS2THRATHRB

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