SCHEMBL5290052

SCHEMBL5290052

COc1ccc(-c2ccc(CNCCCNc3nsc4ccc(Cl)cc34)cc2)cc1

nearest known ligand 0.46

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HTT P42858 1/20 0.45
CHRM2 P08172 1/20 0.43
HTR2A P28223 1/20 0.41
FLT3 P36888 2/20 0.40
ACP1 P24666 1/20 0.40
CLK4 Q9HAZ1 2/20 0.39
CLK1 P49759 1/20 0.39
CLK2 P49760 1/20 0.39
DYRK1A Q13627 1/20 0.39
DYRK1B Q9Y463 1/20 0.39
CYP3A4 P08684 1/20 0.39
HRH4 Q9H3N8 1/20 0.39
MAPT P10636 2/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
NOS2 P35228 1/20 0.38
CNR1 P21554 1/20 0.38
MCHR1 Q99705 1/20 0.38

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
SCHEMBL13202843 0.93 CHRM2 (0.48) CHRM2HTR2AHRH4NOS2MCHR1
SCHEMBL2977758 0.92 CHRM2 (0.47) CHRM2HTR2ACLK4DYRK1ACYP3A4
SCHEMBL13220856 0.88 CHRM2 (0.43) CHRM2HTR2AHRH4MAPTNOS2
SCHEMBL13202773 0.88 CHRM2 (0.43) CHRM2HTR2AFLT3MAPTNOS2
SCHEMBL13202888 0.86 MEN1 (0.46) CHRM2HTR2AMAPTSMN1; SMN2NOS2
SCHEMBL13202695 0.85 EPAS1 (0.52) CHRM2ACP1NOS2
SCHEMBL2977100 0.85 CHRM2 (0.41) HTTCHRM2HTR2ACLK4CLK1
SCHEMBL2976590 0.85 ACP1 (0.42) CHRM2ACP1MAPTNOS2
SCHEMBL13202698 0.80 HTR2A (0.40) HTTHTR2AMAPTSMN1; SMN2
SCHEMBL5279672 0.80 CHRM2 (0.43) CHRM2ACP1NOS2

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-7776847-B2 Benzisothiazoles useful for treating or preventing HCV infection RIGEL PHARMACEUTICALS, INC. (US) 2010-08-17 US disclosed
EP-1853573-A1 BENZISOTHIAZOLES USEFUL FOR TREATING OR PREVENTING HCV INFECTION Rigel Pharmaceuticals, Inc. (US) 2007-11-14 EP disclosed
WO-2006091858-A1 BENZISOTHIAZOLES USEFUL FOR TREATING OR PREVENTING HCV INFECTION RIGEL PHARMACEUTICALS, INC. (US) 2006-08-31 WO disclosed