SCHEMBL5718154

SCHEMBL5718154

Cc1cc(COc2c(Cl)cc(CC(=O)OC(=O)CNC(=O)c3cc(Cl)c(OCc4cc(C)cc(NC5CCC5)c4F)c(Cl)c3)cc2Cl)c(F)c(NC2CCC2)c1

nearest known ligand 0.33

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TAOK1 Q7L7X3 1/20 0.33
TAOK3 Q9H2K8 1/20 0.33
KMT2A Q03164 4/20 0.33
HTT P42858 2/20 0.33
ALDH1A1 P00352 1/20 0.33
MAPK1 P28482 1/20 0.33
PKM P14618 1/20 0.33
HSD17B10 Q99714 1/20 0.32
KDM4E B2RXH2 1/20 0.32
GAA P10253 1/20 0.32
WDR5 P61964 1/20 0.31
MEN1 O00255 2/20 0.31
CCR2 P41597 1/20 0.30
MAPT P10636 1/20 0.30
F2 P00734 1/20 0.30
DDR1 Q08345 1/20 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
SCHEMBL5717790 0.92 KMT2A (0.32) TAOK1TAOK3KMT2AHTTPKM
SCHEMBL5718149 0.89 PDE4A (0.34) TAOK1TAOK3KMT2AHTTALDH1A1
SCHEMBL5717860 0.88 KMT2A (0.33) TAOK1TAOK3KMT2AHTTALDH1A1
SCHEMBL5718089 0.88 KMT2A (0.36) TAOK1TAOK3KMT2AHTTALDH1A1
SCHEMBL4922902 0.87 PDE4A (0.37) TAOK1TAOK3KMT2AHTTALDH1A1
SCHEMBL5722588 0.86 ALDH1A1 (0.35) KMT2AHTTALDH1A1MAPK1PKM
SCHEMBL5722840 0.85 ALDH1A1 (0.38) KMT2AHTTALDH1A1MAPK1PKM
SCHEMBL5718237 0.84 HSD17B10 (0.33) KMT2AHTTALDH1A1MAPK1PKM
SCHEMBL5722776 0.84 THRB (0.38) KMT2AHTTALDH1A1MAPK1PKM
SCHEMBL5717965 0.84 F2 (0.36) TAOK1TAOK3KMT2AHTTALDH1A1

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