SCHEMBL9681394

SCHEMBL9681394

COc1ccc(CNc2ccc(Cl)cc2[N+](=O)[O-])cc1

nearest known ligand 0.74

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 11/20 0.74
L3MBTL1 Q9Y468 2/20 0.74
TDP1 Q9NUW8 2/20 0.74
MEN1 O00255 2/20 0.57
KMT2A Q03164 2/20 0.57
CRHBP P24387 1/20 0.57
CRHR2 Q13324 1/20 0.57
LMNA P02545 3/20 0.57
SMN1; SMN2 Q16637 5/20 0.55
POLB P06746 2/20 0.54
ALDH1A1 P00352 3/20 0.54
NPSR1 Q6W5P4 1/20 0.54
NPC1 O15118 1/20 0.53
PKM P14618 2/20 0.50
MAPK1 P28482 2/20 0.49
TP53 P04637 1/20 0.49
HPGD P15428 1/20 0.49
CYP1A2 P05177 1/20 0.49
CYP3A4 P08684 1/20 0.49
CYP2D6 P10635 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
SCHEMBL9682949 0.92 MAPT (0.67) MAPTL3MBTL1TDP1MEN1KMT2A
SCHEMBL9683242 0.88 MAPT (0.84) MAPTL3MBTL1TDP1MEN1KMT2A
SCHEMBL9683146 0.85 MAPT (0.57) MAPTL3MBTL1TDP1MEN1KMT2A
SCHEMBL13186987 0.85 MAPT (0.61) MAPTL3MBTL1TDP1MEN1KMT2A
SCHEMBL28808881 0.85 MAPT (0.57) MAPTL3MBTL1TDP1MEN1KMT2A
SCHEMBL30984081 0.84 MAPT (0.57) MAPTL3MBTL1TDP1MEN1KMT2A
SCHEMBL25968280 0.84 MAPT (0.57) MAPTL3MBTL1TDP1MEN1KMT2A
SCHEMBL5361493 0.84 MAPT (0.70) MAPTL3MBTL1TDP1MEN1KMT2A
SCHEMBL9682067 0.83 MAPT (0.76) MAPTL3MBTL1TDP1MEN1KMT2A
SCHEMBL2465858 0.82 MAPT (0.75) 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 2 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