SCHEMBL7090780

SCHEMBL7090780

O=C(O)Oc1cc(N=Nc2ccc(O)c(OC(=O)O)c2)ccc1O

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 7/20 0.53
MEN1 O00255 6/20 0.53
HTT P42858 2/20 0.53
PDE4A P27815 1/20 0.53
BLVRB P30043 1/20 0.53
KDR P35968 1/20 0.53
MAPT P10636 5/20 0.50
GAA P10253 4/20 0.50
L3MBTL1 Q9Y468 3/20 0.50
NPSR1 Q6W5P4 1/20 0.50
PTGS2 P35354 4/20 0.47
TDP1 Q9NUW8 4/20 0.47
THRB P10828 2/20 0.47
APP P05067 1/20 0.47
RECQL P46063 1/20 0.47
BLM P54132 1/20 0.47
RAB9A P51151 3/20 0.46
HSP90AA1 P07900 2/20 0.46
NPC1 O15118 2/20 0.46
ALDH1A1 P00352 4/20 0.41

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
SCHEMBL11374507 0.92 PTGS2 (0.49) KMT2AMEN1HTTPDE4ABLVRB
SCHEMBL11547404 0.87 KMT2A (0.39) KMT2AMEN1HTTPDE4ABLVRB
SCHEMBL15090856 0.85 MEN1 (0.48) KMT2AMEN1HTTPDE4ABLVRB
SCHEMBL8995644 0.78 MAOB (0.54) KMT2AMEN1HTTGAAPTGS2
SCHEMBL7551541 0.76 KDM4E (0.46) KMT2AMEN1HTTKDRMAPT
SCHEMBL11202193 0.76 ALDH1A1 (0.53) KMT2AMEN1HTTPDE4AKDR
SCHEMBL15090907 0.76 PPARG (0.41) KMT2AMEN1HTTPDE4ABLVRB
SCHEMBL20258001 0.74 MEN1 (0.50) KMT2AMEN1HTTPDE4ABLVRB
SCHEMBL2904410 0.74 POLB (0.38) HTTMAPTGAAL3MBTL1PTGS2
SCHEMBL379937 0.73 KLKB1 (0.53) KMT2AMEN1MAPTGAATDP1

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-1334208-A2 METHOD FOR MARKING CHEMICAL SUBSTANCES Friz Biochem GmbH (DE) 2003-08-13 EP disclosed
WO-2002016635-A2 METHOD FOR MARKING CHEMICAL SUBSTANCES FRIZ BIOCHEM GMBH (DE) 2002-02-28 WO disclosed