SCHEMBL5717834

SCHEMBL5717834

CNc1cccc(COc2c(Br)cc(CC(=O)O)cc2Br)c1Cl.CNc1cccc(COc2c(Cl)cc(C(=O)NCC(=O)O)cc2Cl)c1Cl

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
THRB P10828 14/20 0.40
THRA P10827 13/20 0.40
KMT2A Q03164 3/20 0.39
ALDH1A1 P00352 2/20 0.39
HPGD P15428 2/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
MEN1 O00255 2/20 0.39
RAB9A P51151 2/20 0.39
ABL1 P00519 1/20 0.39
LMNA P02545 1/20 0.39
GAA P10253 1/20 0.39
MAPT P10636 1/20 0.39
RIN1 Q13671 1/20 0.39
KDM4E B2RXH2 1/20 0.37
CYP1A2 P05177 1/20 0.37
CYP3A4 P08684 1/20 0.37
CYP2D6 P10635 1/20 0.37
CYP2C9 P11712 1/20 0.37
CYP2C19 P33261 1/20 0.37
TDP1 Q9NUW8 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
SCHEMBL5718209 0.92 THRB (0.41) THRBTHRAKMT2AALDH1A1HPGD
SCHEMBL5722530 0.91 ALDH1A1 (0.40) THRBTHRAKMT2AALDH1A1HPGD
SCHEMBL4928664 0.91 HPGD (0.46) KMT2AALDH1A1HPGDSMN1; SMN2MEN1
SCHEMBL5722612 0.90 THRB (0.48) THRBTHRAKMT2AALDH1A1HPGD
SCHEMBL4928981 0.90 SMN1; SMN2 (0.41) THRBTHRAKMT2AALDH1A1HPGD
SCHEMBL5717838 0.89 KMT2A (0.38) THRBTHRAKMT2AALDH1A1HPGD
SCHEMBL5717929 0.89 THRB (0.44) THRBTHRASMN1; SMN2
SCHEMBL4930994 0.88 THRB (0.51) THRBTHRAFABP4FABP5
SCHEMBL5717888 0.87 THRB (0.39) THRBTHRAKMT2AALDH1A1HPGD
SCHEMBL5717967 0.85 HPGD (0.40) THRBTHRAKMT2AALDH1A1HPGD

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-1732533-A1 THYROID RECEPTOR AGONISTS KARO BIO AB (SE) 2006-12-20 EP disclosed
WO-2005092317-A1 THYROID RECEPTOR AGONISTS KARO BIO AB (SE) 2005-10-06 WO disclosed