SCHEMBL1809552

SCHEMBL1809552

c1ccc(Cc2csc(CCCCCCCCCCCCc3nc(Cc4ccccc4)cs3)n2)cc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 7/20 0.51
HDAC6 Q9UBN7 7/20 0.51
SLC6A3 Q01959 2/20 0.44
NOS1 P29475 1/20 0.44
HDAC8 Q9BY41 3/20 0.42
HDAC3 O15379 2/20 0.42
HDAC4 P56524 2/20 0.42
HDAC7 Q8WUI4 2/20 0.42
HDAC2 Q92769 2/20 0.42
HDAC10 Q969S8 2/20 0.42
HDAC11 Q96DB2 2/20 0.42
HDAC9 Q9UKV0 2/20 0.42
HDAC5 Q9UQL6 2/20 0.42
PDE5A O76074 1/20 0.40
PDE1A P54750 1/20 0.40
PDE1B Q01064 1/20 0.40
PDE1C Q14123 1/20 0.40
ADAM17 P78536 1/20 0.40
LTB4R Q15722 1/20 0.39
LOXL2 Q9Y4K0 1/20 0.39

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
SCHEMBL28759152 0.85 HDAC1 (0.59) HDAC1HDAC6NOS1HDAC8LTA4H
SCHEMBL8222179 0.85 LOXL2 (0.57) HDAC1HDAC6SLC6A3NOS1HDAC8
SCHEMBL14493945 0.81 HDAC1 (0.48) HDAC1HDAC6NOS1HDAC8LOXL2
SCHEMBL2705651 0.81 HDAC1 (0.48) HDAC1HDAC6NOS1HDAC8ADAM17
SCHEMBL15522839 0.76 HDAC1 (0.55) HDAC1HDAC6SLC6A3HDAC8HDAC3
SCHEMBL8553088 0.76 HDAC1 (0.54) HDAC1HDAC6NOS1PDE5APDE1A
SCHEMBL8551370 0.76 HDAC1 (0.51) HDAC1HDAC6NOS1PDE5APDE1A
SCHEMBL15522909 0.75 HDAC1 (0.67) HDAC1HDAC6HDAC8HDAC3HDAC4
SCHEMBL11065008 0.74 NOS1 (0.44) HDAC1HDAC6NOS1HDAC8LTA4H
SCHEMBL5659797 0.74 HDAC1 (0.55) HDAC1HDAC6NOS1HDAC8

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2252286-B1 COMBINATION OF A BIS-THIAZOLIUM SALT OR A PRECURSOR THEREOF AND ARTEMISININ OR A DERIVATIVE THEREOF FOR TREATING ACUTE MALARIA SANOFI SA (FR) 2011-08-24 EP claimed
JP-2011514319-A 2011-05-06 JP claimed
EP-2252286-A2 COMBINATION OF A BIS-THIAZOLIUM SALT OR A PRECURSOR THEREOF AND ARTEMISININ OR A DERIVATIVE THEREOF FOR TREATING ACUTE MALARIA Sanofi-Aventis (FR) 2010-11-24 EP claimed
WO-2009115666-A2 COMBINATION OF A BIS-THIAZOLIUM SALT OR A PRECURSOR THEREOF AND ARTEMISININ OR A DERIVATIVE THEREOF FOR TREATING ACUTE MALARIA SANOFI-AVENTIS (FR) 2009-09-24 WO claimed
EP-2252286-B1 COMBINATION OF A BIS-THIAZOLIUM SALT OR A PRECURSOR THEREOF AND ARTEMISININ OR A DERIVATIVE THEREOF FOR TREATING ACUTE MALARIA SANOFI SA (FR) 2011-08-24 EP disclosed
EP-1196371-B1 QUATERNARY BIS-AMMONIUM SALT PRECURSORS AND THEIR USES AS PRODRUGS HAVING AN ANTIPARASITIC ACTIVITY CENTRE NAT RECH SCIENT (FR) 2005-11-02 EP disclosed