SCHEMBL5723352

SCHEMBL5723352

CC(C)C(=O)Nc1cc(C#N)cc(COc2c(Cl)cc(C(=O)NCC(=O)O)cc2Cl)c1.CC(C)C(=O)Nc1cc(C#N)cc(COc2c(Cl)cc(CC(=O)O)cc2Cl)c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
THRA P10827 7/20 0.41
THRB P10828 7/20 0.41
MEN1 O00255 3/20 0.36
KMT2A Q03164 3/20 0.36
SENP5 Q96HI0 1/20 0.36
SENP2 Q9HC62 1/20 0.36
SENP1 Q9P0U3 1/20 0.36
MRGPRX4 Q96LA9 2/20 0.36
ANPEP P15144 1/20 0.34
LNPEP Q9UIQ6 1/20 0.34
RORC P51449 1/20 0.33
PTGER1 P34995 1/20 0.33
RAB9A P51151 2/20 0.32
NPC1 O15118 1/20 0.32
ALDH1A1 P00352 1/20 0.32
ABL1 P00519 1/20 0.32
LMNA P02545 1/20 0.32
GAA P10253 1/20 0.32
MAPT P10636 1/20 0.32
HPGD P15428 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
SCHEMBL5106743 0.96 KMT2A (0.39) THRATHRBMEN1KMT2ASENP5
SCHEMBL5115981 0.91 THRA (0.47) THRATHRBMEN1KMT2ASENP5
SCHEMBL5722542 0.90 MRGPRX4 (0.37) THRATHRBMEN1KMT2ASENP5
SCHEMBL5718126 0.90 MRGPRX4 (0.37) THRATHRBMRGPRX4ALDH1A1GAA
SCHEMBL5723361 0.89 KMT2A (0.34) THRATHRBMEN1KMT2ASENP5
SCHEMBL5722558 0.89 THRA (0.40) THRATHRBMEN1KMT2ASENP5
SCHEMBL5722724 0.88 THRA (0.43) THRATHRBMEN1KMT2ASENP5
SCHEMBL5718139 0.88 MRGPRX4 (0.38) THRATHRBMEN1KMT2AMRGPRX4
SCHEMBL5722490 0.88 THRA (0.43) THRATHRBMEN1KMT2ASENP5
SCHEMBL5722494 0.87 THRA (0.42) THRATHRBMEN1KMT2ASENP5

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