SCHEMBL5717860

SCHEMBL5717860

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

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 5/20 0.33
ALDH1A1 P00352 4/20 0.33
PKM P14618 1/20 0.33
MAPK1 P28482 1/20 0.33
HTT P42858 1/20 0.33
MEN1 O00255 3/20 0.33
HSD17B10 Q99714 1/20 0.33
LMNA P02545 2/20 0.32
MAPT P10636 4/20 0.32
THRB P10828 2/20 0.32
ABL1 P00519 1/20 0.32
GAA P10253 1/20 0.32
HPGD P15428 1/20 0.32
RAB9A P51151 1/20 0.32
RIN1 Q13671 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
GCGR P47871 2/20 0.31
THRA P10827 1/20 0.31
TAOK1 Q7L7X3 1/20 0.31
TAOK3 Q9H2K8 1/20 0.31

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
SCHEMBL5717864 0.94 KMT2A (0.33) KMT2AALDH1A1PKMMAPK1HTT
SCHEMBL5722776 0.92 THRB (0.38) KMT2AALDH1A1PKMMAPK1HTT
SCHEMBL5717758 0.92 KMT2A (0.35) KMT2AALDH1A1PKMMEN1HSD17B10
SCHEMBL5722588 0.90 ALDH1A1 (0.35) KMT2AALDH1A1PKMMAPK1HTT
SCHEMBL5722840 0.90 ALDH1A1 (0.38) KMT2AALDH1A1PKMMAPK1HTT
SCHEMBL5718237 0.89 HSD17B10 (0.33) KMT2AALDH1A1PKMMAPK1HTT
SCHEMBL5717856 0.88 THRB (0.38) KMT2AALDH1A1MAPK1HTTMEN1
SCHEMBL5718154 0.88 TAOK1 (0.33) KMT2AALDH1A1PKMMAPK1HTT
SCHEMBL5717848 0.88 KMT2A (0.39) KMT2AALDH1A1PKMMAPK1HTT
SCHEMBL5717872 0.86 KMT2A (0.33) KMT2AALDH1A1PKMMEN1HSD17B10

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