SCHEMBL9683236

SCHEMBL9683236

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

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.50
NPSR1 Q6W5P4 1/20 0.50
MAPK1 P28482 3/20 0.47
TSHR P16473 2/20 0.47
MAPT P10636 5/20 0.46
VCAM1 P19320 1/20 0.45
KIF18A Q8NI77 1/20 0.43
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
L3MBTL1 Q9Y468 2/20 0.42
KDM4E B2RXH2 1/20 0.42
HTT P42858 1/20 0.42
HCAR3 P49019 1/20 0.42
POLB P06746 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
PDE7A Q13946 1/20 0.41
PDE7B Q9NP56 1/20 0.41
HPGD P15428 2/20 0.40
LMNA P02545 1/20 0.40
ALOX15 P16050 1/20 0.40

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
SCHEMBL3518353 0.91 MEN1 (0.53) ALDH1A1NPSR1MAPK1TSHRMAPT
SCHEMBL9683006 0.88 PSEN1 (0.43) ALDH1A1NPSR1MAPK1TSHRMAPT
SCHEMBL9682947 0.86 POLB (0.52) ALDH1A1NPSR1MAPK1MAPTMEN1
SCHEMBL6816481 0.83 ALDH1A1 (0.58) ALDH1A1NPSR1MAPK1TSHRMAPT
SCHEMBL30610948 0.83 ALDH1A1 (0.58) ALDH1A1NPSR1MAPK1TSHRMAPT
SCHEMBL30641694 0.80 MAPT (0.50) ALDH1A1NPSR1MAPK1TSHRMAPT
SCHEMBL11055761 0.80 MAPK1 (0.50) ALDH1A1NPSR1MAPK1TSHRMAPT
SCHEMBL11391208 0.77 ALDH1A1 (0.47) ALDH1A1NPSR1MAPK1TSHRMAPT
SCHEMBL3487466 0.76 HCAR3 (0.51) ALDH1A1NPSR1MAPK1TSHRMAPT
SCHEMBL3487462 0.76 HCAR3 (0.51) ALDH1A1NPSR1MAPK1TSHRMAPT

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