SCHEMBL9683160

SCHEMBL9683160

O=[N+]([O-])c1cc(F)ccc1NCc1ccc(Cl)c(Cl)c1

nearest known ligand 0.54

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MAPT P10636 10/20 0.54
TDP1 Q9NUW8 3/20 0.54
L3MBTL1 Q9Y468 3/20 0.54
LMNA P02545 3/20 0.51
MEN1 O00255 2/20 0.51
KMT2A Q03164 2/20 0.51
POLB P06746 1/20 0.51
SMN1; SMN2 Q16637 1/20 0.51
SSTR3 P32745 1/20 0.49
MAPK1 P28482 2/20 0.46
ALDH1A1 P00352 2/20 0.46
CYP1A2 P05177 1/20 0.44
CYP2D6 P10635 1/20 0.44
CYP2C9 P11712 1/20 0.44
CYP2C19 P33261 1/20 0.44
HTR6 P50406 1/20 0.43
ARNT P27540 1/20 0.42
EPAS1 Q99814 1/20 0.42

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
SCHEMBL9681781 0.86 MAPT (0.71) MAPTTDP1L3MBTL1LMNAMEN1
SCHEMBL9683008 0.86 MAPT (0.67) MAPTTDP1L3MBTL1LMNAMEN1
SCHEMBL12658349 0.84 MAPT (0.53) MAPTTDP1L3MBTL1LMNAMEN1
SCHEMBL10353546 0.82 MAPT (0.72) MAPTTDP1L3MBTL1LMNAMEN1
SCHEMBL9682931 0.81 MAPT (0.58) MAPTTDP1L3MBTL1LMNAMEN1
SCHEMBL4542148 0.78 LMNA (0.53) MAPTTDP1L3MBTL1LMNAMEN1
SCHEMBL9683146 0.78 MAPT (0.57) MAPTTDP1L3MBTL1LMNAMEN1
SCHEMBL9681404 0.78 MAPT (0.56) MAPTTDP1L3MBTL1LMNAMEN1
SCHEMBL9683458 0.76 SSTR3 (0.51) SSTR3ALDH1A1CYP1A2CYP2D6CYP2C9
SCHEMBL30740584 0.76 MAPT (0.49) MAPTTDP1L3MBTL1LMNAMEN1

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