SCHEMBL8104896

SCHEMBL8104896

Nc1ccccc1Oc1ccc([N+](=O)[O-])cc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSPB1 P04792 3/20 0.56
ALDH1A1 P00352 4/20 0.55
MAPT P10636 4/20 0.53
MEN1 O00255 4/20 0.53
KMT2A Q03164 4/20 0.53
PDE7A Q13946 1/20 0.51
GAA P10253 1/20 0.50
RCE1 Q9Y256 1/20 0.50
HTT P42858 2/20 0.49
CASP3 P42574 1/20 0.47
SENP8 Q96LD8 1/20 0.47
SENP7 Q9BQF6 1/20 0.47
SENP6 Q9GZR1 1/20 0.47
IKBKB O14920 1/20 0.47
BRAF P15056 1/20 0.47
LMNA P02545 3/20 0.47
MAPK1 P28482 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
RAB9A P51151 1/20 0.47
CA1 P00915 1/20 0.46

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
SCHEMBL7632959 0.87 HSPB1 (0.66) HSPB1ALDH1A1MAPTMEN1KMT2A
SCHEMBL11721323 0.84 HSPB1 (0.54) HSPB1ALDH1A1MAPTMEN1KMT2A
SCHEMBL19950759 0.83 ALDH1A1 (0.65) HSPB1ALDH1A1MAPTMEN1KMT2A
SCHEMBL9087468 0.82 HSPB1 (0.59) HSPB1ALDH1A1MAPTMEN1KMT2A
SCHEMBL28129762 0.81 MEN1 (0.55) HSPB1ALDH1A1MAPTMEN1KMT2A
SCHEMBL10337156 0.81 HTT (0.60) HSPB1ALDH1A1MAPTMEN1KMT2A
SCHEMBL2285909 0.81 GAA (0.69) ALDH1A1MAPTMEN1KMT2AGAA
2,4'-Oxybis(Nitrobenzene) SCHEMBL9474586 0.81 HSPB1 (0.62) HSPB1ALDH1A1MAPTMEN1KMT2A
SCHEMBL27739212 0.80 MEN1 (0.57) HSPB1ALDH1A1MAPTMEN1KMT2A
SCHEMBL5082634 0.79 ALDH1A1 (0.66) HSPB1ALDH1A1MAPTMEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1042278-A1 1,3-DISUBSTITUTED UREAS AS ACAT INHIBITORS, AND METHOD OF PREPARING THEREOF Slovakofarma, A.S. (SK) 2000-10-11 EP disclosed
WO-1999032437-A1 1,3-DISUBSTITUTED UREAS AS ACAT INHIBITORS, AND METHOD OF PREPARING THEREOF SLOVAKOFARMA, A.S. (SK) 1999-07-01 WO disclosed
US-4880838-A INSECTICIDES RHONE-POULENC (NL) 1989-11-14 US disclosed
EP-0215841-B1 PESTICIDAL 1-(4-PHENOXYPHENYL)-3-BENZOYL UREA COMPOUNDS AND PROCESS FOR PREPARATION RHONE-POULENC NEDERLAND B.V. (NL) 1988-11-17 EP disclosed
EP-0220840-A2 Pesticidal 1-(4-aryloxyphenyl)-3-benzoyl urea compounds, processes for their preparation, and pesticidal compositions and methods of controlling pests employing said compounds RHONE-POULENC NEDERLAND B.V. (NL) 1987-05-06 EP disclosed
EP-0215841-A1 PESTICIDAL 1-(4-PHENOXYPHENYL)-3-BENZOYL UREA COMPOUNDS AND PROCESS FOR PREPARATION. UNION CARBIDE CORP (US) 1987-04-01 EP disclosed
WO-1986005780-A1 PESTICIDAL 1-(4-PHENOXYPHENYL)-3-BENZOYL UREA COMPOUNDS AND PROCESS FOR PREPARATION UNION CARBIDE CORPORATION (US) 1986-10-09 WO disclosed