SCHEMBL5182829

SCHEMBL5182829

O=[N+]([O-])c1cnc(CCO)[nH]1

nearest known ligand 0.44

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.38
PKM P14618 1/20 0.35
ALDH1A1 P00352 3/20 0.35
MAPK1 P28482 2/20 0.35
LMNA P02545 1/20 0.35
THRB P10828 1/20 0.35
DAO P14920 1/20 0.31
MAPT P10636 1/20 0.31
ATM Q13315 1/20 0.30
KDM4E B2RXH2 1/20 0.30
CYP2C19 P33261 1/20 0.30
GAA P10253 1/20 0.30
HTT P42858 1/20 0.30

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
SCHEMBL11617678 0.87 ALDH1A1 (0.34) TSHRPKMALDH1A1MAPK1LMNA
SCHEMBL7810661 0.82
SCHEMBL7812152 0.79 ALDH1A1 (0.34) PKMALDH1A1LMNAMAPT
SCHEMBL7804838 0.78 ALDH1A1 (0.33) PKMALDH1A1LMNAMAPT
SCHEMBL11754477 0.78 MAPT (0.31) MAPT
SCHEMBL8813561 0.78 GAA (0.42) ALDH1A1MAPK1MAPTATMKDM4E
SCHEMBL11735982 0.77 GPR84 (0.40) PKMALDH1A1
SCHEMBL10398923 0.77 HRH1 (0.36) ALDH1A1LMNAMAPT
SCHEMBL8411619 0.76 SMN1; SMN2 (0.33) MAPTKDM4EGAA
SCHEMBL11347719 0.75

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1670772-A1 DERIVATIVES OF 1,3-DIONES HAVING A HERBICIDAL ACTIVITY Isagro Ricerca S.r.l. (IT) 2006-06-21 EP claimed
WO-2005030736-A1 DERIVATIVES OF 1,3-DIONES HAVING A HERBICIDAL ACTIVITY ISAGRO RICERCA S.R.L. (IT) 2005-04-07 WO claimed
EP-1799698-A1 BIOREDUCTIVELY-ACTIVATED PRODRUGS Angiogene Pharmaceuticals Limited (GB) 2007-06-27 EP disclosed
EP-1670772-A1 DERIVATIVES OF 1,3-DIONES HAVING A HERBICIDAL ACTIVITY Isagro Ricerca S.r.l. (IT) 2006-06-21 EP disclosed
WO-2006032921-A1 BIOREDUCTIVELY-ACTIVATED PRODRUGS ANGIOGENE PHARMACEUTICALS LIMITED (GB) 2006-03-30 WO disclosed
WO-2005030736-A1 DERIVATIVES OF 1,3-DIONES HAVING A HERBICIDAL ACTIVITY ISAGRO RICERCA S.R.L. (IT) 2005-04-07 WO disclosed
WO-2002081466-A1 PRODRUGS OF 3-(PYRROL-2-YLMETHYLIDENE)-2-INDOLINONE DERIVATIVES SUGEN, INC. (US) 2002-10-17 WO disclosed
EP-0006463-A1 Process for the production of 2-substituted 1-alkyl-nitroimidazoles BASF Aktiengesellschaft (DE) 1980-01-09 EP disclosed