SCHEMBL5717864

SCHEMBL5717864

CCC(C)Nc1cc(C)cc(COc2c(Cl)cc(CC(=O)OC(=O)CNC(=O)c3cc(Cl)c(OCc4cc(C)cc(NC(C)CC)c4F)c(Cl)c3)cc2Cl)c1F

nearest known ligand 0.33

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.33
MEN1 O00255 3/20 0.33
MAPT P10636 3/20 0.33
ALDH1A1 P00352 2/20 0.33
LMNA P02545 2/20 0.33
ABL1 P00519 1/20 0.33
GAA P10253 1/20 0.33
HPGD P15428 1/20 0.33
RAB9A P51151 1/20 0.33
RIN1 Q13671 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
MAPK1 P28482 1/20 0.31
HTT P42858 1/20 0.31
PKM P14618 1/20 0.31
HSD17B10 Q99714 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
SCHEMBL5717860 0.94 KMT2A (0.33) KMT2AMEN1MAPTALDH1A1LMNA
SCHEMBL5717872 0.93 KMT2A (0.33) KMT2AMEN1MAPTALDH1A1LMNA
SCHEMBL5717861 0.89 THRA (0.36) KMT2AMEN1MAPTALDH1A1LMNA
SCHEMBL5722776 0.88 THRB (0.38) KMT2AMEN1MAPTALDH1A1LMNA
SCHEMBL5722840 0.87 ALDH1A1 (0.38) KMT2AMEN1MAPTALDH1A1LMNA
SCHEMBL4935198 0.87 ALDH1A1 (0.38) KMT2AMEN1MAPTALDH1A1LMNA
SCHEMBL5718237 0.87 HSD17B10 (0.33) KMT2AMEN1MAPTALDH1A1LMNA
SCHEMBL5722588 0.86 ALDH1A1 (0.35) KMT2AMEN1MAPTALDH1A1LMNA
SCHEMBL5717758 0.86 KMT2A (0.35) KMT2AMEN1MAPTALDH1A1LMNA
SCHEMBL5718183 0.84 KMT2A (0.33) KMT2AMEN1MAPTALDH1A1LMNA

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