SCHEMBL5135835

SCHEMBL5135835

CCn1c(CCSC)nc2ccc(Oc3c(Br)cc(CC(F)C(=O)OC(=O)C(F)Cc4cc(Br)c(Oc5ccc6nc(CS(C)(=O)=O)n(CC)c6c5)c(Br)c4)cc3Br)cc21

nearest known ligand 0.31

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
NTRK1 P04629 4/20 0.31
NTRK2 Q16620 4/20 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
SCHEMBL5135834 0.93 THRA (0.31)
SCHEMBL3127197 0.87 THRA (0.35) NTRK1NTRK2
SCHEMBL3136098 0.86 ACSS2 (0.35)
SCHEMBL3128023 0.86 ACSS2 (0.35)
SCHEMBL5137904 0.74 ACSS2 (0.33)
SCHEMBL3142258 0.74 THRA (0.36)
SCHEMBL3130577 0.73 ACSS2 (0.40)
SCHEMBL3133600 0.73 ACSS2 (0.40)
SCHEMBL3137672 0.73 RAF1 (0.37)
SCHEMBL3142133 0.69 POLB (0.45)

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