SCHEMBL5717872

SCHEMBL5717872

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

nearest known ligand 0.34

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.33
MAPT P10636 4/20 0.33
MEN1 O00255 3/20 0.33
ALDH1A1 P00352 1/20 0.33
ABL1 P00519 1/20 0.33
LMNA P02545 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
PKM P14618 1/20 0.32
HSD17B10 Q99714 1/20 0.31
DDR1 Q08345 1/20 0.31
GPR139 Q6DWJ6 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
SCHEMBL5717758 0.94 KMT2A (0.35) KMT2AMAPTMEN1ALDH1A1ABL1
SCHEMBL5717864 0.93 KMT2A (0.33) KMT2AMAPTMEN1ALDH1A1ABL1
SCHEMBL5717868 0.89 MEN1 (0.36) KMT2AMAPTMEN1ALDH1A1ABL1
SCHEMBL5722626 0.88 THRA (0.37) KMT2AMAPTMEN1ALDH1A1ABL1
SCHEMBL5717920 0.88 KMT2A (0.35) KMT2AMAPTMEN1ALDH1A1ABL1
SCHEMBL5717781 0.88 KMT2A (0.35) KMT2AMAPTMEN1ALDH1A1ABL1
SCHEMBL5722486 0.87 THRA (0.36) KMT2AMAPTMEN1ALDH1A1ABL1
SCHEMBL4931801 0.87 ALDH1A1 (0.39) KMT2AMAPTMEN1ALDH1A1ABL1
SCHEMBL5718280 0.86 KMT2A (0.34) KMT2AMAPTMEN1ALDH1A1ABL1
SCHEMBL5722489 0.86 KMT2A (0.35) KMT2AMAPTMEN1ALDH1A1ABL1

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