SCHEMBL5717838

SCHEMBL5717838

CNc1cccc(COc2c(Cl)cc(C(=O)NCC(=O)OC(=O)Cc3cc(Br)c(OCc4cccc(NC)c4Cl)c(Br)c3)cc2Cl)c1Cl

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 6/20 0.38
PKM P14618 2/20 0.38
MEN1 O00255 5/20 0.37
ALDH1A1 P00352 4/20 0.37
MAPT P10636 4/20 0.37
HPGD P15428 3/20 0.37
SMN1; SMN2 Q16637 3/20 0.37
RAB9A P51151 2/20 0.37
LMNA P02545 2/20 0.37
ABL1 P00519 1/20 0.37
GAA P10253 1/20 0.37
RIN1 Q13671 1/20 0.37
THRA P10827 2/20 0.35
THRB P10828 2/20 0.35
CYP1A2 P05177 5/20 0.34
CYP3A4 P08684 5/20 0.34
CYP2D6 P10635 5/20 0.34
CYP2C19 P33261 5/20 0.34
CYP2C9 P11712 2/20 0.34
KDM4E B2RXH2 1/20 0.34

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
SCHEMBL5718210 0.92 KMT2A (0.38) KMT2APKMMEN1ALDH1A1MAPT
SCHEMBL5722532 0.91 KMT2A (0.38) KMT2APKMMEN1ALDH1A1MAPT
SCHEMBL5722616 0.91 THRA (0.40) KMT2APKMMEN1ALDH1A1MAPT
SCHEMBL5717834 0.89 THRB (0.40) KMT2APKMMEN1ALDH1A1MAPT
SCHEMBL5717893 0.87 KMT2A (0.35) KMT2APKMMEN1ALDH1A1MAPT
SCHEMBL5717975 0.86 KMT2A (0.39) KMT2APKMMEN1ALDH1A1MAPT
SCHEMBL4928664 0.82 HPGD (0.46) KMT2APKMMEN1ALDH1A1MAPT
SCHEMBL4928981 0.81 SMN1; SMN2 (0.41) KMT2APKMMEN1ALDH1A1MAPT
SCHEMBL5718209 0.81 THRB (0.41) KMT2AMEN1ALDH1A1MAPTHPGD
SCHEMBL5722612 0.80 THRB (0.48) KMT2AMEN1ALDH1A1MAPTHPGD

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