SCHEMBL3784791

SCHEMBL3784791

COc1ccc(Oc2c(Br)cc(N(CC(=O)O)C(=O)Nc3ccccc3)cc2Br)cc1-c1ccccc1

nearest known ligand 0.41

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
THRA P10827 6/20 0.41
THRB P10828 6/20 0.41
LMNA P02545 4/20 0.39
PTK2 Q05397 1/20 0.38
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
ALDH1A1 P00352 4/20 0.37
KDM4E B2RXH2 2/20 0.37
POLB P06746 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
HIF1A Q16665 1/20 0.36
SLC6A9 P48067 1/20 0.36
GAA P10253 1/20 0.36
HTT P42858 2/20 0.36
KEAP1 Q14145 1/20 0.36
NFE2L2 Q16236 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
TSHR P16473 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
SCHEMBL3780490 0.89 THRB (0.45) THRATHRBLMNAMEN1KMT2A
SCHEMBL3710103 0.88 THRB (0.50) THRATHRBPTK2
SCHEMBL3800984 0.86 GYS1 (0.41) THRATHRBSLC6A9HTTKEAP1
SCHEMBL3806836 0.84 KDM4E (0.41) THRATHRBKDM4EPOLBSLC6A9
SCHEMBL3802151 0.84 TSHR (0.40) THRATHRBLMNAKMT2APOLB
SCHEMBL3800631 0.83 LMNA (0.38) THRATHRBLMNAMEN1KMT2A
SCHEMBL3800512 0.82 LMNA (0.42) THRATHRBLMNAALDH1A1KDM4E
SCHEMBL3806790 0.81 MEN1 (0.45) THRATHRBMEN1KMT2AALDH1A1
SCHEMBL3800575 0.80 KMT2A (0.43) MEN1KMT2AALDH1A1KDM4EPOLB
SCHEMBL3701595 0.79 THRA (0.62) THRATHRB

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