SCHEMBL5316161

SCHEMBL5316161

O=C1c2ccccc2C(=O)N1C1COC(c2ccccc2)OC1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
CYP2C19 P33261 1/20 0.42
TDP1 Q9NUW8 2/20 0.40
MAPT P10636 2/20 0.40
KDM4E B2RXH2 1/20 0.38
TSHR P16473 3/20 0.38
CYP19A1 P11511 2/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
CYP1A2 P05177 2/20 0.37
ALDH1A1 P00352 1/20 0.37
CHRM2 P08172 1/20 0.37
OPRM1 P35372 1/20 0.37
DDB1 Q16531 1/20 0.37
CRBN Q96SW2 1/20 0.37
IKZF3 Q9UKT9 1/20 0.37
LMNA P02545 3/20 0.37
GAA P10253 2/20 0.37
EHMT2 Q96KQ7 1/20 0.37
EHMT1 Q9H9B1 1/20 0.37

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
SCHEMBL24358382 0.79 L3MBTL1 (0.42) KMT2ACYP2C19TDP1MAPTTSHR
SCHEMBL29619427 0.79 L3MBTL1 (0.43) MEN1KMT2ATDP1TSHRL3MBTL1
SCHEMBL29928122 0.79 L3MBTL1 (0.43) MEN1KMT2ATDP1TSHRL3MBTL1
SCHEMBL23819700 0.79 L3MBTL1 (0.43) MEN1KMT2ATDP1TSHRL3MBTL1
SCHEMBL26088195 0.79 L3MBTL1 (0.43) MEN1KMT2ATDP1TSHRL3MBTL1
SCHEMBL21878322 0.78 ALDH1A1 (0.41) KMT2ACYP2C19TDP1MAPTKDM4E
SCHEMBL31474940 0.78 ALDH1A1 (0.41) KMT2ACYP2C19TDP1MAPTKDM4E
SCHEMBL21878321 0.78 ALDH1A1 (0.41) KMT2ACYP2C19TDP1MAPTKDM4E
SCHEMBL31475119 0.78 ALDH1A1 (0.41) KMT2ACYP2C19TDP1MAPTKDM4E
SCHEMBL2565587 0.76 KMT2A (0.39) MEN1KMT2ACYP2C19TDP1MAPT

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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0629617-B2 Heteroatom-bearing ligands and metal complexes thereof BRACCO INT BV (NL) 2007-09-26 EP disclosed
EP-0629617-B1 Heteroatom-bearing ligands and metal complexes thereof BRACCO INT BV (NL) 1998-04-29 EP disclosed
US-5741912-A DIAGNOSIS, THERAPY BRACCO INTERNATIONAL B.V. 1998-04-21 US disclosed
US-5665329-A Heteroatom-bearing ligands and metal complexes thereof BRACCO INTERNATIONAL B.V. 1997-09-09 US disclosed
US-5656254-A Polyaza heteroatom-bearing ligands and metal complexes thereof for imaging or radiotherapy BRACCO INTERNATIONAL B.V. 1997-08-12 US disclosed
US-5627286-A Heteroatom-bearing ligands and metal complexes thereof BRACCO INTERNATIONAL B.V. 1997-05-06 US disclosed
US-5608110-A Heteroatom-bearing ligands and metal complexes thereof BRACCO INTERNATIONAL B.V. 1997-03-04 US disclosed
EP-0629617-A1 Heteroatom-bearing ligands and metal complexes thereof BRACCO International B.V. (NL) 1994-12-21 EP disclosed