SCHEMBL11742201

SCHEMBL11742201

Cc1ccccc1C(=O)c1noc(-c2ccccc2C)c1[N+](=O)[O-]

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.39
F2 P00734 1/20 0.38
PLAU P00749 1/20 0.38
ELANE P08246 1/20 0.38
ALDH1A1 P00352 4/20 0.37
TDP1 Q9NUW8 1/20 0.37
RAB9A P51151 2/20 0.37
PAX8 Q06710 1/20 0.37
MAPT P10636 1/20 0.37
HTT P42858 1/20 0.37
GAA P10253 1/20 0.36
LMNA P02545 3/20 0.36
KMT2A Q03164 2/20 0.36
MEN1 O00255 1/20 0.36
HPGD P15428 2/20 0.36
NPC1 O15118 1/20 0.36
SMN1; SMN2 Q16637 2/20 0.35
MAPK13 O15264 1/20 0.35
MAPK12 P53778 1/20 0.35
MAPK11 Q15759 1/20 0.35

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
SCHEMBL11523151 0.75 GPX4 (0.43) POLBF2PLAUELANEALDH1A1
SCHEMBL10985014 0.72 ALDH1A1 (0.51) POLBF2PLAUELANEALDH1A1
SCHEMBL10991337 0.72 RAB9A (0.48) POLBALDH1A1RAB9APAX8MAPT
SCHEMBL280227 0.69 PTPN1 (0.48) POLBALDH1A1RAB9APAX8MAPT
SCHEMBL10993287 0.69 RAB9A (0.46) POLBALDH1A1RAB9APAX8MAPT
SCHEMBL13316479 0.68 PTPN1 (0.49) POLBALDH1A1RAB9APAX8MAPT
SCHEMBL10994126 0.68 RAB9A (0.55) POLBALDH1A1RAB9APAX8MAPT
SCHEMBL1753233 0.65 TARBP2 (0.46) POLBELANEALDH1A1RAB9AMAPT
SCHEMBL11833687 0.65 MAPK13 (0.47) POLBF2PLAUELANEALDH1A1
SCHEMBL13714272 0.64 ALDH1A1 (0.62) POLBF2PLAUELANEALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4061651-A Preparation of 3,5-disubstituted-4-nitroisoxazoles TEXACO INC. (US) 1977-12-06 US disclosed