SCHEMBL9682445

SCHEMBL9682445

O=[N+]([O-])c1cc(Cl)ccc1NCc1ccc(Br)cc1F

nearest known ligand 0.54

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MAPT P10636 14/20 0.54
L3MBTL1 Q9Y468 4/20 0.54
TDP1 Q9NUW8 1/20 0.54
ALDH1A1 P00352 5/20 0.50
POLB P06746 2/20 0.50
NPSR1 Q6W5P4 1/20 0.49
SMN1; SMN2 Q16637 1/20 0.47
LMNA P02545 1/20 0.44
HTT P42858 1/20 0.44
PKM P14618 1/20 0.44
IDO1 P14902 1/20 0.44
TDO2 P48775 1/20 0.44
MAPK1 P28482 2/20 0.43
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
AKR1B1 P15121 1/20 0.42
ALDH3A1 P30838 1/20 0.41

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
SCHEMBL9683485 0.91 MAPT (0.60) MAPTL3MBTL1TDP1ALDH1A1POLB
SCHEMBL9682000 0.88 MAPT (0.51) MAPTL3MBTL1TDP1ALDH1A1POLB
SCHEMBL9682067 0.81 MAPT (0.76) MAPTL3MBTL1TDP1ALDH1A1POLB
SCHEMBL9680964 0.80 MAPT (0.42) MAPTALDH1A1POLBSMN1; SMN2IDO1
SCHEMBL10487794 0.79 HPGD (0.62) ALDH1A1POLBSMN1; SMN2LMNAHTT
SCHEMBL9683479 0.78 AKR1B1 (0.43) MAPTL3MBTL1ALDH1A1LMNAHTT
SCHEMBL9682260 0.78 MAPT (0.67) MAPTL3MBTL1TDP1ALDH1A1POLB
SCHEMBL30740584 0.78 MAPT (0.49) MAPTL3MBTL1TDP1ALDH1A1POLB
SCHEMBL23270782 0.76 MAPT (0.71) MAPTL3MBTL1TDP1ALDH1A1POLB
SCHEMBL15540987 0.75 MAPT (0.51) MAPTL3MBTL1TDP1ALDH1A1POLB

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