SCHEMBL8969813

SCHEMBL8969813

O=C(O)c1ccccc1N=Nc1cc(O)ccc1C(=O)O

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IDE P14735 1/20 0.70
MEN1 O00255 6/20 0.63
KMT2A Q03164 6/20 0.63
MAPT P10636 5/20 0.63
NPSR1 Q6W5P4 3/20 0.56
GAA P10253 2/20 0.56
PSMD14 O00487 1/20 0.56
HSP90AA1 P07900 1/20 0.56
MMP2 P08253 1/20 0.56
THRB P10828 1/20 0.56
MAPK1 P28482 1/20 0.56
TDP1 Q9NUW8 1/20 0.56
L3MBTL1 Q9Y468 2/20 0.51
ALDH1A1 P00352 4/20 0.50
CA12 O43570 3/20 0.50
CA1 P00915 3/20 0.50
CA2 P00918 3/20 0.50
CA7 P43166 3/20 0.50
CA9 Q16790 3/20 0.50
CA14 Q9ULX7 3/20 0.50

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
SCHEMBL5959038 0.90 IDE (0.66) IDEMEN1KMT2AMAPTNPSR1
SCHEMBL8726508 0.88 MEN1 (0.76) IDEMEN1KMT2AMAPTNPSR1
SCHEMBL9799666 0.86 IDE (0.66) IDEMEN1KMT2AMAPTNPSR1
SCHEMBL9799662 0.86 IDE (0.66) IDEMEN1KMT2AMAPTNPSR1
Phenol SCHEMBL7057355 0.85 IDE (0.79) IDEMEN1KMT2AMAPTNPSR1
SCHEMBL68504 0.84 IDE (0.71) IDEMEN1KMT2AMAPTNPSR1
SCHEMBL68503 0.84 IDE (0.71) IDEMEN1KMT2AMAPTNPSR1
SCHEMBL29401042 0.82 IDE (1.00) IDEMEN1KMT2AMAPTNPSR1
SCHEMBL453284 0.82 IDE (1.00) IDEMEN1KMT2AMAPTNPSR1
SCHEMBL12100493 0.82 IDE (1.00) IDEMEN1KMT2AMAPTNPSR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5534620-A LIQUID PHASE AND SOLID PHASE BIDENTATE LIGANDS, SEPARATION BY ELUTION, IMMOBILIZATION AND REGENERATION BECKMAN INSTRUMENTS, INC. (US) 1996-07-09 US disclosed