SCHEMBL9008560

SCHEMBL9008560

Cc1cc(O)cc(C)c1N=Nc1ccccc1C(=O)O

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 9/20 0.62
KMT2A Q03164 9/20 0.62
MAPT P10636 5/20 0.62
NPSR1 Q6W5P4 3/20 0.62
HSP90AA1 P07900 2/20 0.62
GAA P10253 2/20 0.62
PSMD14 O00487 1/20 0.62
MMP2 P08253 1/20 0.62
THRB P10828 1/20 0.62
MAPK1 P28482 1/20 0.62
TDP1 Q9NUW8 1/20 0.62
IDE P14735 1/20 0.58
NPC1 O15118 1/20 0.55
RAB9A P51151 1/20 0.55
POLB P06746 3/20 0.55
L3MBTL1 Q9Y468 2/20 0.55
ALDH1A1 P00352 2/20 0.55
HPGD P15428 1/20 0.55
ATM Q13315 1/20 0.54
PTPN11 Q06124 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
Phenol SCHEMBL7057355 0.79 IDE (0.79) MEN1KMT2AMAPTNPSR1HSP90AA1
SCHEMBL68504 0.79 IDE (0.71) MEN1KMT2AMAPTNPSR1HSP90AA1
SCHEMBL68503 0.79 IDE (0.71) MEN1KMT2AMAPTNPSR1HSP90AA1
SCHEMBL21067348 0.78 KMT2A (0.71) MEN1KMT2AMAPTNPSR1HSP90AA1
SCHEMBL8969813 0.77 IDE (0.70) MEN1KMT2AMAPTNPSR1HSP90AA1
SCHEMBL11026656 0.76 MEN1 (0.68) MEN1KMT2AMAPTNPSR1HSP90AA1
SCHEMBL21067788 0.76 KMT2A (0.69) MEN1KMT2AMAPTNPSR1HSP90AA1
SCHEMBL11026669 0.76 MEN1 (0.68) MEN1KMT2AMAPTNPSR1HSP90AA1
SCHEMBL2207266 0.75 KMT2A (0.67) MEN1KMT2AMAPTNPSR1HSP90AA1
SCHEMBL2207271 0.75 KMT2A (0.67) MEN1KMT2AMAPTNPSR1HSP90AA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0579676-B1 METHOD FOR SPECIFIC BINDING ASSAYS USING A RELEASABLE LIGAND DADE CHEMISTRY SYSTEMS INC (US) 1996-10-30 EP disclosed
US-5332679-A Avidan, immunology E. I. DUPONT DE NEMOURS AND COMPANY (US) 1994-07-26 US disclosed
WO-1992016841-A1 METHOD FOR SPECIFIC BINDING ASSAYS USING A RELEASABLE LIGAND E.I. DU PONT DE NEMOURS AND COMPANY (US) 1992-10-01 WO disclosed