SCHEMBL5722508

SCHEMBL5722508

CCC(=O)Nc1cc(C)cc(COc2c(Br)cc(CC(=O)OC(=O)CNC(=O)c3cc(Br)c(OCc4cc(Cl)cc(NC(=O)CC)c4F)c(Br)c3)cc2Br)c1F

nearest known ligand 0.37

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.37
ALDH1A1 P00352 2/20 0.35
MAPK1 P28482 1/20 0.35
HTT P42858 1/20 0.35
THRB P10828 2/20 0.35
THRA P10827 1/20 0.35
POLB P06746 1/20 0.32
LMNA P02545 2/20 0.31
NPC1 O15118 1/20 0.31
RAB9A P51151 1/20 0.31
PAX8 Q06710 1/20 0.31
TAAR1 Q96RJ0 1/20 0.31
GAA P10253 2/20 0.31
MMP1 P03956 1/20 0.30
MEN1 O00255 2/20 0.30
KMT2A Q03164 2/20 0.30

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
SCHEMBL5722505 0.91 THRB (0.42) SMN1; SMN2ALDH1A1MAPK1HTTTHRB
SCHEMBL5722840 0.88 ALDH1A1 (0.38) SMN1; SMN2ALDH1A1MAPK1HTTTHRB
SCHEMBL5722486 0.87 THRA (0.36) SMN1; SMN2ALDH1A1MAPK1HTTTHRB
SCHEMBL5722648 0.84 THRB (0.42) THRBTHRA
SCHEMBL5118797 0.84 SMN1; SMN2 (0.39) SMN1; SMN2ALDH1A1MAPK1HTTTHRB
SCHEMBL5104287 0.84 THRA (0.37) SMN1; SMN2ALDH1A1MAPK1HTTTHRB
SCHEMBL5722588 0.80 ALDH1A1 (0.35) SMN1; SMN2ALDH1A1MAPK1HTTTHRB
SCHEMBL5117297 0.80 THRB (0.50) SMN1; SMN2ALDH1A1THRBTHRAMEN1
SCHEMBL5112377 0.80 THRB (0.50) THRBTHRA
SCHEMBL5722489 0.79 KMT2A (0.35) SMN1; SMN2ALDH1A1POLBLMNARAB9A

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