SCHEMBL7569094

SCHEMBL7569094

CCOc1cc(Oc2ccc([N+](=O)[O-])c(OCC)c2)ccc1[N+](=O)[O-]

nearest known ligand 0.58

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MAPT P10636 8/20 0.58
ALDH1A1 P00352 5/20 0.58
LMNA P02545 3/20 0.58
KMT2A Q03164 5/20 0.51
MEN1 O00255 4/20 0.51
RECQL P46063 2/20 0.50
MAPK1 P28482 1/20 0.50
HTT P42858 1/20 0.44
NPC1 O15118 4/20 0.44
RAB9A P51151 4/20 0.44
CYP3A4 P08684 1/20 0.44
CYP2C19 P33261 1/20 0.44
SMN1; SMN2 Q16637 2/20 0.43
PTGS2 P35354 1/20 0.43
HPGD P15428 1/20 0.42
GAA P10253 1/20 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
SCHEMBL10363223 0.88 MAPT (0.47) MAPTALDH1A1LMNAKMT2AMEN1
SCHEMBL31118275 0.87 MAPT (0.49) MAPTALDH1A1LMNAKMT2AMEN1
SCHEMBL11160174 0.85 MAPT (0.47) MAPTALDH1A1LMNAKMT2AMEN1
SCHEMBL27939011 0.84 L3MBTL1 (0.52) MAPTALDH1A1LMNAKMT2AMEN1
SCHEMBL11088590 0.84 MAPT (0.46) MAPTALDH1A1LMNAKMT2AMEN1
SCHEMBL10881418 0.84 TDP1 (0.61) MAPTALDH1A1LMNAKMT2AMEN1
SCHEMBL29598356 0.83 MAPT (0.44) MAPTALDH1A1LMNAKMT2AMEN1
SCHEMBL16200804 0.83 S1PR4 (0.50) MAPTALDH1A1LMNAKMT2AMEN1
SCHEMBL1531122 0.82 MAPT (0.44) MAPTALDH1A1LMNAKMT2AMEN1
SCHEMBL5068190 0.81 MAPT (0.58) MAPTALDH1A1LMNAKMT2AMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1231839-A2 HERBICIDE MEANS WITH ACYLATED AMINO PHENYL SULFONYL CARBAMIDE Aventis CropScience GmbH (DE) 2002-08-21 EP disclosed
WO-2001035742-A2 HERBICIDE MEANS WITH ACYLATED AMINO PHENYL SULFONYL CARBAMIDE AVENTIS CROPSCIENCE GMBH (DE) 2001-05-25 WO disclosed
WO-2000074488-A1 METHOD OF CONTROLLING WEEDS IN TRANSGENIC CROPS AVENTIS AGRICULTURE LTD. (GB) 2000-12-14 WO disclosed
US-4975113-A Herbeicidal composition IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1990-12-04 US disclosed
EP-0368592-A1 Herbicidal compositions IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1990-05-16 EP disclosed