SCHEMBL9682485

SCHEMBL9682485

COc1ccc(NCc2ccc(Cl)cc2)c(N)c1

nearest known ligand 0.51

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.51
ACP1 P24666 1/20 0.49
BCHE P06276 3/20 0.48
ACHE P22303 3/20 0.48
CNR1 P21554 1/20 0.46
CNR2 P34972 1/20 0.46
CLK4 Q9HAZ1 3/20 0.46
DYRK1A Q13627 2/20 0.46
DYRK1B Q9Y463 2/20 0.46
NCF1 P14598 1/20 0.46
CLK1 P49759 1/20 0.46
CLK2 P49760 1/20 0.46
VNN1 O95497 1/20 0.45
HTT P42858 1/20 0.45
HDAC8 Q9BY41 1/20 0.45
MEN1 O00255 1/20 0.45
KMT2A Q03164 1/20 0.45
MAPT P10636 2/20 0.44
SMN1; SMN2 Q16637 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
SCHEMBL9683167 0.91 HTT (0.51) GAAACP1BCHEACHECNR1
SCHEMBL13186988 0.88 ACP1 (0.49) GAAACP1BCHEACHECNR1
SCHEMBL11016390 0.85 MEN1 (0.56) GAABCHEACHENCF1VNN1
SCHEMBL23641246 0.85 MAPT (0.48) BCHEACHEHTTMEN1KMT2A
SCHEMBL14356260 0.84 NCF1 (0.45) GAABCHEACHENCF1MEN1
SCHEMBL9683129 0.82 MAPT (0.47) HDAC8MEN1KMT2AMAPTSMN1; SMN2
SCHEMBL30789262 0.80 BCHE (0.54) GAABCHEHTTMEN1KMT2A
SCHEMBL9683331 0.79 MAP2K4 (0.52) GAANCF1MEN1KMT2AMAPT
SCHEMBL4315483 0.78 NCF1 (0.53) GAAACP1BCHEACHENCF1
SCHEMBL4538645 0.78 MAPT (0.54) GAAHDAC8MEN1KMT2AMAPT

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