SCHEMBL11005161

SCHEMBL11005161

CC(=O)Nc1cc(F)c(OC(C)(F)F)cc1[N+](=O)[O-]

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 3/20 0.44
MAPT P10636 3/20 0.44
KMT2A Q03164 3/20 0.43
HTT P42858 2/20 0.42
ALDH1A1 P00352 5/20 0.41
LMNA P02545 2/20 0.41
POLB P06746 2/20 0.41
GALR2 O43603 1/20 0.41
MITF O75030 1/20 0.41
HSP90AA1 P07900 1/20 0.41
HPGD P15428 1/20 0.41
XBP1 P17861 1/20 0.41
CCR6 P51684 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
MEN1 O00255 2/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
PKM P14618 2/20 0.41
ALDH3A1 P30838 2/20 0.39
GAA P10253 1/20 0.39
CYP19A1 P11511 1/20 0.38

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
SCHEMBL23389131 0.91 NPSR1 (0.45) NPSR1MAPTKMT2AHTTALDH1A1
SCHEMBL1646147 0.84 MAPT (0.48) NPSR1MAPTKMT2AHTTALDH1A1
SCHEMBL9527822 0.81 NPSR1 (0.45) NPSR1MAPTKMT2AHTTALDH1A1
SCHEMBL1425030 0.80 MAPT (0.55) NPSR1MAPTKMT2AHTTALDH1A1
SCHEMBL4652737 0.79 MAPT (0.54) NPSR1MAPTKMT2AHTTALDH1A1
SCHEMBL9232481 0.79 MAPT (0.54) NPSR1MAPTKMT2AHTTALDH1A1
SCHEMBL1192664 0.79 NPSR1 (0.48) NPSR1MAPTKMT2AHTTALDH1A1
SCHEMBL11005183 0.78 ALDH1A1 (0.45) NPSR1MAPTKMT2AHTTALDH1A1
SCHEMBL4857875 0.77 MAPT (0.44) NPSR1MAPTKMT2AHTTALDH1A1
SCHEMBL11005202 0.77 ALDH1A1 (0.44) NPSR1MAPTKMT2AHTTALDH1A1

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-4555518-A ANTIULCER AGENTS BYK GULDEN LOMBERG CHEMISCHE FABRIK GMBH (DE) 1985-11-26 US disclosed