SCHEMBL3707649

SCHEMBL3707649

O=C(O)CN(C(=O)c1ccccc1)c1cc(Br)c(Oc2ccc(O)c(S(=O)(=O)N3CCCCC3)c2)c(Br)c1

nearest known ligand 0.42

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
THRB P10828 10/20 0.42
CNR1 P21554 1/20 0.41
CNR2 P34972 1/20 0.41
TP53 P04637 2/20 0.39
MAPT P10636 2/20 0.39
THRA P10827 6/20 0.38
GAA P10253 1/20 0.38
MAPK1 P28482 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
TSHR P16473 1/20 0.36
MCL1 Q07820 1/20 0.36

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
SCHEMBL3713137 0.89 MAPT (0.46) MAPTGAASMN1; SMN2TSHR
SCHEMBL3705716 0.82 THRB (0.46) THRBTHRA
SCHEMBL3702629 0.82 THRB (0.42) THRBMAPTTHRASMN1; SMN2TSHR
SCHEMBL3706492 0.81 THRB (0.40) THRBTHRA
SCHEMBL3705084 0.81 TSHR (0.44) THRBMAPTGAASMN1; SMN2TSHR
SCHEMBL3704685 0.78 ESRRA (0.44) THRBMAPTTHRA
SCHEMBL3708122 0.78 THRB (0.45) THRBTHRA
SCHEMBL3709651 0.76 THRB (0.52) THRBTHRA
SCHEMBL3708160 0.76 THRA (0.61) THRBTHRA
SCHEMBL3209980 0.76 THRB (0.55) THRBTHRATSHR

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
WO-2010086878-A2 THYROID RECEPTOR MODULATORS CADILA HEALTHCARE LIMITED (IN) 2010-08-05 WO disclosed