SCHEMBL9682949

SCHEMBL9682949

COc1ccc(NCc2ccc(Cl)cc2)c([N+](=O)[O-])c1

nearest known ligand 0.67

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MAPT P10636 7/20 0.67
L3MBTL1 Q9Y468 2/20 0.67
TDP1 Q9NUW8 1/20 0.67
MEN1 O00255 6/20 0.54
KMT2A Q03164 6/20 0.54
CRHBP P24387 1/20 0.54
CRHR2 Q13324 1/20 0.54
ALDH1A1 P00352 2/20 0.53
CYP3A4 P08684 1/20 0.53
CYP2C19 P33261 1/20 0.53
MAPK1 P28482 1/20 0.53
LMNA P02545 1/20 0.51
NPC1 O15118 4/20 0.50
SMN1; SMN2 Q16637 3/20 0.50
RAB9A P51151 3/20 0.50
HTR6 P50406 1/20 0.50
POLB P06746 1/20 0.49

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
SCHEMBL9681394 0.92 MAPT (0.74) MAPTL3MBTL1TDP1MEN1KMT2A
SCHEMBL13186987 0.90 MAPT (0.61) MAPTL3MBTL1TDP1MEN1KMT2A
SCHEMBL10509856 0.87 MEN1 (0.54) MAPTL3MBTL1TDP1MEN1KMT2A
SCHEMBL2130528 0.87 MAPT (0.60) MAPTL3MBTL1TDP1MEN1KMT2A
SCHEMBL30984081 0.86 MAPT (0.57) MAPTL3MBTL1TDP1MEN1KMT2A
SCHEMBL25968280 0.86 MAPT (0.57) MAPTL3MBTL1TDP1MEN1KMT2A
SCHEMBL30983902 0.86 MAPT (0.62) MAPTL3MBTL1TDP1MEN1KMT2A
SCHEMBL14356251 0.86 MAPT (0.53) MAPTL3MBTL1TDP1MEN1KMT2A
SCHEMBL9683242 0.85 MAPT (0.84) MAPTL3MBTL1TDP1MEN1KMT2A
SCHEMBL9683146 0.82 MAPT (0.57) MAPTL3MBTL1TDP1MEN1KMT2A

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