SCHEMBL3702629

SCHEMBL3702629

O=C(O)CN(C(=O)c1ccccc1)c1cc(Br)c(Oc2ccc(O)c(S(=O)(=O)NC3CCCCC3)c2)c(Br)c1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
THRB P10828 10/20 0.42
MAPT P10636 2/20 0.39
CCR8 P51685 1/20 0.37
THRA P10827 6/20 0.37
STAT3 P40763 1/20 0.36
NPSR1 Q6W5P4 2/20 0.36
ALDH1A1 P00352 2/20 0.36
CYP1A2 P05177 1/20 0.36
CYP3A4 P08684 1/20 0.36
CYP2D6 P10635 1/20 0.36
CYP2C9 P11712 1/20 0.36
CYP2C19 P33261 1/20 0.36
HTT P42858 1/20 0.36
BRD4 O60885 1/20 0.35
BRD2 P25440 1/20 0.35
BRD3 Q15059 1/20 0.35
LMNA P02545 2/20 0.35
USP2 O75604 1/20 0.35
TSHR P16473 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35

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
SCHEMBL3707649 0.82 THRB (0.42) THRBMAPTTHRATSHRSMN1; SMN2
SCHEMBL3711487 0.82 POLB (0.44) MAPTALDH1A1BRD4BRD2BRD3
SCHEMBL3706492 0.79 THRB (0.40) THRBTHRAKMT2A
SCHEMBL3228633 0.76 THRB (0.51) THRBTHRAALDH1A1HTTBRD4
SCHEMBL3704685 0.76 ESRRA (0.44) THRBMAPTTHRA
SCHEMBL3708122 0.76 THRB (0.45) THRBTHRASTAT3
SCHEMBL3705716 0.75 THRB (0.46) THRBTHRASTAT3
SCHEMBL3712191 0.75 THRA (0.51) THRBTHRA
SCHEMBL3709651 0.74 THRB (0.52) THRBTHRASTAT3
SCHEMBL3708160 0.74 THRA (0.61) THRBTHRA

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