SCHEMBL9681463

SCHEMBL9681463

COc1ccc(N(Cc2ccc(Cl)cc2)S(=O)(=O)c2ccc(C)cc2)c([N+](=O)[O-])c1

nearest known ligand 0.63

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.63
MCOLN3 Q8TDD5 1/20 0.63
CNR2 P34972 4/20 0.52
CNR1 P21554 3/20 0.50
LMNA P02545 2/20 0.50
ALDH1A1 P00352 1/20 0.50
NPSR1 Q6W5P4 1/20 0.50
CYP3A4 P08684 1/20 0.50
CYP2C19 P33261 1/20 0.50
MMP1 P03956 3/20 0.48
MMP9 P14780 3/20 0.48
MMP13 P45452 3/20 0.48
NR1D1 P20393 1/20 0.47
MAPT P10636 1/20 0.46
KDM4E B2RXH2 1/20 0.45
HPGD P15428 1/20 0.45
PTGER1 P34995 2/20 0.44
MAPK1 P28482 1/20 0.44
ACHE P22303 1/20 0.44

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
SCHEMBL10805165 0.81 POLB (0.68) POLBMCOLN3CNR2CNR1LMNA
SCHEMBL6832001 0.79 POLB (0.79) POLBMCOLN3LMNAALDH1A1CYP3A4
SCHEMBL69171 0.77 PSEN1 (0.61) POLBMCOLN3CNR2CNR1ALDH1A1
SCHEMBL29368302 0.77 PSEN1 (0.61) POLBMCOLN3CNR2CNR1ALDH1A1
SCHEMBL6831728 0.76 POLB (0.74) POLBMCOLN3LMNAALDH1A1CYP3A4
SCHEMBL6833255 0.74 POLB (0.71) POLBMCOLN3LMNAALDH1A1CYP3A4
SCHEMBL6828377 0.74 PSEN1 (0.50) POLBMCOLN3CNR2ALDH1A1MAPT
SCHEMBL6831183 0.73 C5AR1 (0.58) POLBMCOLN3MAPTKDM4EHPGD
SCHEMBL6554749 0.73 PSEN1 (0.59) POLBCNR2CNR1LMNAALDH1A1
SCHEMBL6833224 0.72 PSEN1 (0.48) POLBMCOLN3CNR2MAPTHPGD

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