SCHEMBL28069322

SCHEMBL28069322

O=C(O)c1cccc(-c2nc(-c3cccc(C(=O)O)c3)nc(-c3cccc(C(=O)O)c3)n2)c1

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMO O15229 2/20 0.67
RXRA P19793 2/20 0.58
RXRB P28702 2/20 0.58
CD74 P04233 1/20 0.56
MIF P14174 1/20 0.56
NPC1 O15118 2/20 0.55
RAB9A P51151 2/20 0.55
L3MBTL1 Q9Y468 1/20 0.55
KEAP1 Q14145 1/20 0.55
KDM4E B2RXH2 1/20 0.54
ALDH1A1 P00352 1/20 0.54
HPGD P15428 1/20 0.54
SMN1; SMN2 Q16637 1/20 0.54
CA12 O43570 1/20 0.54
CA1 P00915 1/20 0.54
CA2 P00918 1/20 0.54
CA6 P23280 1/20 0.54
CA9 Q16790 1/20 0.54
MAOA P21397 1/20 0.53
BLVRB P30043 1/20 0.53

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
SCHEMBL30526004 0.92 KMO (0.75) KMORXRARXRBCD74MIF
SCHEMBL2178009 0.92 KMO (0.58) KMORXRARXRBCD74MIF
SCHEMBL31734205 0.87 KMO (0.67) KMORXRARXRBCD74MIF
SCHEMBL29904709 0.86 KMO (0.86) KMORXRARXRBCD74MIF
SCHEMBL30725957 0.86 KMO (0.86) KMORXRARXRBCD74MIF
SCHEMBL71238 0.86 KMO (0.86) KMORXRARXRBCD74MIF
SCHEMBL9608490 0.85 ADORA2A (0.58) KMORXRARXRBCD74MIF
Water SCHEMBL10348973 0.84 KMO (0.83) KMORXRARXRBCD74MIF
Hydrochloric Acid SCHEMBL21173951 0.84 KMO (0.83) KMORXRARXRBCD74MIF
Fluoride SCHEMBL21332075 0.84 KMO (0.83) KMORXRARXRBCD74MIF

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-105732678-B Rare earth organic framework materials for biological tissue and the sensing imaging of cell interior fluorescence temperature and preparation method thereof 浙江大学 2017-10-13 CN claimed
CN-105732678-A Rare-earth organic framework material for fluorescent temperature sensation imaging in biological tissue and cells and preparation method thereof 浙江大学 2016-07-06 CN claimed
CN-105732678-B Rare earth organic framework materials for biological tissue and the sensing imaging of cell interior fluorescence temperature and preparation method thereof 浙江大学 2017-10-13 CN disclosed
CN-105732678-A Rare-earth organic framework material for fluorescent temperature sensation imaging in biological tissue and cells and preparation method thereof 浙江大学 2016-07-06 CN disclosed