SCHEMBL11264402

SCHEMBL11264402

COc1ccc(C(=O)c2ccc([N+](=O)[O-])cc2)c(Cl)c1

nearest known ligand 0.85

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 6/20 0.85
HTT P42858 4/20 0.85
NPSR1 Q6W5P4 3/20 0.85
GAA P10253 1/20 0.85
MAPT P10636 5/20 0.67
TDP1 Q9NUW8 2/20 0.67
POLB P06746 2/20 0.67
RAB9A P51151 1/20 0.62
KDM4E B2RXH2 2/20 0.57
ALDH1A1 P00352 3/20 0.56
LMNA P02545 2/20 0.56
PAX8 Q06710 2/20 0.56
RAF1 P04049 1/20 0.56
HPGD P15428 1/20 0.56
GFER P55789 1/20 0.56
L3MBTL1 Q9Y468 1/20 0.55
SMN1; SMN2 Q16637 1/20 0.54
KMT2A Q03164 3/20 0.54
AKR1C3 P42330 1/20 0.52
AKR1C2 P52895 1/20 0.52

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
SCHEMBL6846139 0.92 MAPK1 (1.00) MAPK1HTTNPSR1GAAMAPT
SCHEMBL9726804 0.85 MAPT (0.82) MAPK1HTTNPSR1GAAMAPT
SCHEMBL11260473 0.85 MAPK1 (0.65) MAPK1HTTNPSR1GAAMAPT
SCHEMBL5175720 0.84 MAPK1 (0.77) MAPK1HTTNPSR1GAAMAPT
SCHEMBL7344334 0.84 MAPK1 (0.64) MAPK1HTTNPSR1GAAMAPT
SCHEMBL10727439 0.84 MAPK1 (0.81) MAPK1HTTNPSR1GAAMAPT
SCHEMBL11067446 0.83 MAPK1 (0.64) MAPK1HTTNPSR1GAAMAPT
SCHEMBL3809736 0.83 MAPT (0.82) MAPK1HTTNPSR1GAAMAPT
SCHEMBL11421508 0.82 MAPK1 (0.62) MAPK1HTTNPSR1GAAMAPT
SCHEMBL11266959 0.82 MAPT (0.65) MAPK1HTTNPSR1GAAMAPT

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-4323691-A Hydroxyaminomethyl derivatives of benzoyl di-substituted α-phenoxyalkanoyl esters ABBOTT LABORATORIES (US) 1982-04-06 US disclosed