SCHEMBL9683167

SCHEMBL9683167

COc1ccc(CNc2ccc(Cl)cc2N)cc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 1/20 0.51
ACP1 P24666 1/20 0.49
NCF1 P14598 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 2/20 0.46
CLK1 P49759 1/20 0.46
CLK2 P49760 1/20 0.46
DYRK1A Q13627 1/20 0.46
DYRK1B Q9Y463 1/20 0.46
MAPT P10636 3/20 0.46
NPC1 O15118 1/20 0.46
LMNA P02545 1/20 0.46
RAB9A P51151 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
VNN1 O95497 1/20 0.45
GAA P10253 1/20 0.45
MEN1 O00255 1/20 0.45

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
SCHEMBL9682485 0.91 GAA (0.51) HTTACP1NCF1BCHEACHE
SCHEMBL9683129 0.86 MAPT (0.47) MAPTRAB9AL3MBTL1MEN1KMT2A
SCHEMBL9683331 0.82 MAP2K4 (0.52) NCF1MAPTNPC1LMNARAB9A
SCHEMBL13186988 0.82 ACP1 (0.49) HTTACP1NCF1BCHEACHE
SCHEMBL23641246 0.82 MAPT (0.48) HTTBCHEACHEMAPTMEN1
SCHEMBL4308882 0.81 ABL1 (0.51) CNR1MAPTNPC1LMNARAB9A
SCHEMBL11569274 0.80 ALDH1A1 (0.49) MAPTRAB9AL3MBTL1VNN1GAA
SCHEMBL9682901 0.80 MAPT (0.43) MAPTNPC1RAB9AL3MBTL1GAA
SCHEMBL11274390 0.80 PKM (0.52) MAPTLMNAGAASMN1; SMN2
SCHEMBL9683493 0.79 MEN1 (0.59) HTTMAPTNPC1RAB9AL3MBTL1

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