SCHEMBL5717893

SCHEMBL5717893

O=C(CNC(=O)c1cc(Cl)c(OCc2cccc(NC3CCC3)c2Cl)c(Cl)c1)OC(=O)Cc1cc(Br)c(OCc2cccc(NC3CCC3)c2Cl)c(Br)c1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.35
PKM P14618 2/20 0.35
MRGPRX4 Q96LA9 3/20 0.33
MEN1 O00255 3/20 0.32
MAPT P10636 2/20 0.32
ALDH1A1 P00352 2/20 0.32
ABL1 P00519 1/20 0.32
LMNA P02545 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
CYP1A2 P05177 2/20 0.32
CYP3A4 P08684 2/20 0.32
CYP2D6 P10635 2/20 0.32
CYP2C19 P33261 2/20 0.32
CXCR6 O00574 2/20 0.31
GLA P06280 1/20 0.31
TAOK1 Q7L7X3 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
SCHEMBL5717888 0.90 THRB (0.39) KMT2APKMMEN1MAPTALDH1A1
SCHEMBL5718210 0.88 KMT2A (0.38) KMT2APKMMEN1MAPTALDH1A1
SCHEMBL5718089 0.87 KMT2A (0.36) KMT2APKMMRGPRX4MEN1MAPT
SCHEMBL5717838 0.87 KMT2A (0.38) KMT2APKMMRGPRX4MEN1MAPT
SCHEMBL5722532 0.85 KMT2A (0.38) KMT2APKMMEN1MAPTALDH1A1
SCHEMBL5722616 0.85 THRA (0.40) KMT2APKMMEN1MAPTALDH1A1
SCHEMBL4924842 0.84 KMT2A (0.39) KMT2APKMMEN1MAPTALDH1A1
SCHEMBL4358268 0.83 PDE4A (0.38) KMT2APKMMEN1LMNAHPGD
SCHEMBL5717750 0.82 THRA (0.36) KMT2AMEN1GAACYP1A2CYP3A4
SCHEMBL5717921 0.82 THRA (0.34) KMT2APKMMRGPRX4MEN1MAPT

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