SCHEMBL5722502

SCHEMBL5722502

CCS(=O)(=O)Nc1cccc(COc2c(Br)cc(C(=O)NCC(=O)O)cc2Br)c1.CS(=O)(=O)Nc1cccc(COc2c(Br)cc(C(=O)NCC(=O)O)cc2Br)c1

nearest known ligand 0.48

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
THRA P10827 8/20 0.48
THRB P10828 8/20 0.48
SMN1; SMN2 Q16637 2/20 0.43
PDE5A O76074 1/20 0.41
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
AR P10275 2/20 0.40
ESR1 P03372 1/20 0.40
NR3C1 P04150 1/20 0.40
PGR P06401 1/20 0.40
NR3C2 P08235 1/20 0.40
NR1H4 Q96RI1 1/20 0.39
LMNA P02545 1/20 0.39
HPGD P15428 1/20 0.39
POLB P06746 1/20 0.38
ROCK2 O75116 2/20 0.38
ROCK1 Q13464 1/20 0.38
PTGDR2 Q9Y5Y4 1/20 0.37
GLA P06280 1/20 0.37

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
SCHEMBL4348053 0.96 THRA (0.52) THRATHRBSMN1; SMN2PDE5AMEN1
SCHEMBL4354704 0.95 THRA (0.50) THRATHRBSMN1; SMN2PDE5AMEN1
SCHEMBL5722506 0.92 THRA (0.43) THRATHRBSMN1; SMN2MEN1KMT2A
SCHEMBL5722640 0.84 THRA (0.48) THRATHRBSMN1; SMN2ARESR1
SCHEMBL5119167 0.84 SMN1; SMN2 (0.40) THRATHRBSMN1; SMN2PDE5AMEN1
SCHEMBL4523210 0.84 SMN1; SMN2 (0.40) THRATHRBSMN1; SMN2PDE5AMEN1
SCHEMBL4540037 0.83 THRA (0.69) THRATHRBSMN1; SMN2PDE5AMEN1
SCHEMBL4354874 0.83 THRA (0.53) THRATHRBSMN1; SMN2PDE5AMEN1
SCHEMBL5119983 0.83 SMN1; SMN2 (0.39) THRATHRBSMN1; SMN2PDE5AMEN1
SCHEMBL4357825 0.82 THRA (0.40) THRATHRBSMN1; SMN2MEN1KMT2A

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-1732532-A1 NOVEL PHARMACEUTICAL COMPOSITIONS COMPRISING AGONISTS OF THE THYROID RECEPTOR KARO BIO AB (SE) 2006-12-20 EP disclosed
WO-2005092316-A1 NOVEL PHARMACEUTICAL COMPOSITIONS COMPRISING AGONISTS OF THE THYROID RECEPTOR KARO BIO AB (SE) 2005-10-06 WO disclosed