SCHEMBL9681357

SCHEMBL9681357

CN(c1ccc(Cl)cc1)c1ncc(Cl)cc1[N+](=O)[O-]

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 3/20 0.40
ALDH1A1 P00352 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
LTC4S Q16873 1/20 0.40
MAPT P10636 3/20 0.39
MAPK1 P28482 2/20 0.39
TSHR P16473 1/20 0.39
EGFR P00533 2/20 0.39
CSF1R P07333 2/20 0.39
AHR P35869 1/20 0.39
VCAM1 P19320 1/20 0.38
PKM P14618 1/20 0.37
PDE7A Q13946 2/20 0.36
CGAS Q8N884 1/20 0.36
CYP19A1 P11511 1/20 0.36
PDE4B Q07343 1/20 0.36
PDE4D Q08499 1/20 0.36
PDE7B Q9NP56 1/20 0.36
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36

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
SCHEMBL11440205 0.91 MAPT (0.38) POLBALDH1A1NPSR1LTC4SMAPT
SCHEMBL10810225 0.80 MEN1 (0.51) POLBALDH1A1MAPTPKMPDE7A
SCHEMBL11428913 0.79 MAPT (0.40) POLBALDH1A1MAPTMAPK1PKM
SCHEMBL9683236 0.76 ALDH1A1 (0.50) POLBALDH1A1NPSR1MAPTMAPK1
SCHEMBL9680963 0.75 AMY1A (0.34) ALDH1A1NPSR1MAPTEGFRAHR
SCHEMBL9682919 0.74 EGFR (0.43) ALDH1A1LTC4STSHREGFRCSF1R
SCHEMBL11434967 0.74 BACE1 (0.37) ALDH1A1NPSR1MAPT
SCHEMBL11429462 0.74 ALDH1A1 (0.37) POLBALDH1A1NPSR1MAPTMAPK1
SCHEMBL11428844 0.72 LMNA (0.42) ALDH1A1MAPTMAPK1EGFRMEN1
SCHEMBL6831821 0.72 POLB (0.49) POLBNPSR1MAPTVCAM1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5128359-A Benzimidazole and azabenzimidazole derivatives which are thromboxane receptor antagonists, their methods of preparation LABORATOIRES UPSA (FR) 1992-07-07 US disclosed
US-5124336-A Cardiovascular disorders LABORATOIRES UPSA (FR) 1992-06-23 US disclosed
US-5021443-A Noval benzimidazole and azabenzimiazole derivatives which are thromboxane receptor antagonists, their methods of preparation and pharmaceutical compositions in which they are present LABORATOIRES UPSA (FR) 1991-06-04 US disclosed