SCHEMBL5136428

SCHEMBL5136428

CC(C)Cc1nc2ccc(Oc3c(Br)cc([O])cc3Br)cc2n1C(C)C

nearest known ligand 0.37

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 4/20 0.37
KMT2A Q03164 4/20 0.37
POLB P06746 2/20 0.36
PDE10A Q9Y233 1/20 0.36
PPARG P37231 4/20 0.33
THRA P10827 5/20 0.33
THRB P10828 5/20 0.33
TSHR P16473 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
HDAC6 Q9UBN7 1/20 0.32
LMNA P02545 1/20 0.32

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
SCHEMBL5136430 0.89 MEN1 (0.39) MEN1KMT2APOLBPDE10APPARG
SCHEMBL3137299 0.85 THRA (0.39) MEN1KMT2APOLBPDE10APPARG
SCHEMBL3142062 0.83 THRA (0.38) PDE10APPARGTHRATHRB
SCHEMBL4529353 0.79 MEN1 (0.34) MEN1KMT2APOLBTHRATHRB
SCHEMBL3131701 0.72 ACSS2 (0.48) PDE10APPARGTHRATHRB
SCHEMBL3140970 0.71 THRA (0.35) PPARGTHRATHRB
SCHEMBL3141794 0.70 THRA (0.40) MEN1KMT2ATHRATHRBLMNA
SCHEMBL3129981 0.70 THRA (0.56) POLBTHRATHRB
SCHEMBL3137483 0.69 THRA (0.41) PPARGTHRATHRBLMNA
SCHEMBL3137491 0.69 THRA (0.41) PPARGTHRATHRBLMNA

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