SCHEMBL5717880

SCHEMBL5717880

CNc1cc(F)cc(COc2c(Cl)cc(CC(=O)OC(=O)CNC(=O)c3cc(Cl)c(OCc4cc(F)cc(NC)c4)c(Cl)c3)cc2Cl)c1

nearest known ligand 0.36

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 5/20 0.36
MAPT P10636 4/20 0.36
MEN1 O00255 3/20 0.36
ALDH1A1 P00352 2/20 0.34
GAA P10253 2/20 0.34
KDM4E B2RXH2 1/20 0.34
MRGPRX4 Q96LA9 3/20 0.34
PKM P14618 1/20 0.34
HSD17B10 Q99714 1/20 0.33
PPARA Q07869 1/20 0.33
RAB9A P51151 2/20 0.32
NPC1 O15118 1/20 0.32
ABL1 P00519 1/20 0.32
LMNA P02545 1/20 0.32
HPGD P15428 1/20 0.32
RIN1 Q13671 1/20 0.32
SMN1; SMN2 Q16637 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
SCHEMBL5717907 0.90 MAPT (0.35) KMT2AMAPTMEN1ALDH1A1GAA
SCHEMBL5717791 0.90 LMNA (0.38) KMT2AMAPTMEN1ALDH1A1GAA
SCHEMBL5718073 0.90 HSD17B10 (0.36) KMT2AMAPTMEN1ALDH1A1GAA
SCHEMBL5722552 0.90 MAPK1 (0.36) KMT2AMAPTMEN1ALDH1A1GAA
SCHEMBL5717908 0.89 ALDH1A1 (0.35) KMT2AMAPTMEN1ALDH1A1GAA
SCHEMBL5718283 0.89 MRGPRX4 (0.41) KMT2AMEN1GAAMRGPRX4
SCHEMBL5722496 0.88 SENP5 (0.35) KMT2AMAPTMEN1ALDH1A1PKM
SCHEMBL5717876 0.87 THRA (0.37) KMT2AMAPTMEN1ALDH1A1GAA
SCHEMBL5717977 0.86 MRGPRX4 (0.42) KMT2AMAPTMEN1MRGPRX4PKM
SCHEMBL5718143 0.86 MRGPRX4 (0.36) KMT2AMAPTMEN1ALDH1A1GAA

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