SCHEMBL8096825

SCHEMBL8096825

O=C1NC(c2cccc([N+](=O)[O-])c2)SC1O

nearest known ligand 0.48

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.48
GAA P10253 2/20 0.46
ALDH1A1 P00352 6/20 0.46
KDM4E B2RXH2 3/20 0.46
KMT2A Q03164 3/20 0.46
MAPT P10636 3/20 0.46
MEN1 O00255 2/20 0.46
TSHR P16473 3/20 0.43
LMNA P02545 2/20 0.43
L3MBTL1 Q9Y468 1/20 0.42
HPGD P15428 1/20 0.42
ALOX15 P16050 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.40
CACNA1F O60840 1/20 0.40
ADORA3 P0DMS8 1/20 0.40
CACNA1D Q01668 1/20 0.40
CACNA1S Q13698 1/20 0.40
CACNA1C Q13936 1/20 0.40

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
SCHEMBL8089624 0.83 TDP1 (0.48) TDP1GAAALDH1A1KDM4EKMT2A
SCHEMBL8090390 0.77 ALDH1A1 (0.68) GAAALDH1A1KDM4EKMT2AMAPT
SCHEMBL8097532 0.77 ALDH1A1 (0.46) GAAALDH1A1MAPTTSHRHPGD
SCHEMBL8097874 0.77 MAPT (0.49) GAAALDH1A1KMT2AMAPTMEN1
SCHEMBL8096856 0.77 TSHR (0.46) TDP1ALDH1A1KDM4EKMT2AMAPT
SCHEMBL26304201 0.74 TDP1 (0.56) TDP1GAAALDH1A1KDM4EKMT2A
SCHEMBL8090331 0.73 TDP1 (0.52) TDP1GAAALDH1A1KDM4EKMT2A
SCHEMBL8089737 0.73 PBRM1 (0.43) ALDH1A1MAPTTSHRLMNAHPGD
SCHEMBL8099374 0.73 ABCC9 (0.43) ALDH1A1MAPTTSHRHPGDCACNA1F
SCHEMBL8098555 0.73 ALDH1A1 (0.43) ALDH1A1MAPTTSHRHPGD

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
EP-0672038-B1 HERBICIDES ZENECA LTD (GB) 2000-01-19 EP disclosed
US-5856273-A CONTROLLING WEEDS ZENECA LIMITED (GB) 1999-01-05 US disclosed
EP-0672038-A1 HERBICIDES ZENECA LIMITED (GB) 1995-09-20 EP disclosed
WO-1994013652-A1 HERBICIDES ZENECA LIMITED (GB) 1994-06-23 WO disclosed