SCHEMBL8306329

SCHEMBL8306329

Fc1ccc(OCc2cccs2)cc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.54
NPC1 O15118 2/20 0.54
RAB9A P51151 2/20 0.54
TDP1 Q9NUW8 1/20 0.54
L3MBTL1 Q9Y468 1/20 0.54
TRPM8 Q7Z2W7 1/20 0.51
HPGD P15428 3/20 0.50
PDK2 Q15119 1/20 0.47
KMT2A Q03164 2/20 0.45
MEN1 O00255 1/20 0.45
F9 P00740 1/20 0.45
F10 P00742 1/20 0.45
MAOB P27338 4/20 0.44
APP P05067 1/20 0.44
POLB P06746 1/20 0.44
SLC6A3 Q01959 1/20 0.44
HTT P42858 1/20 0.43
DRD4 P21917 1/20 0.43
DRD5 P21918 1/20 0.43
LMNA P02545 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
SCHEMBL6616525 0.82 TDP1 (0.51) SMN1; SMN2NPC1RAB9ATDP1L3MBTL1
SCHEMBL7890449 0.81 MAOB (0.52) SMN1; SMN2NPC1RAB9ATDP1L3MBTL1
SCHEMBL10661599 0.81 CYP1A2 (0.54) SMN1; SMN2NPC1RAB9ATDP1TRPM8
SCHEMBL20319189 0.81 HPGD (0.50) SMN1; SMN2NPC1RAB9ATDP1L3MBTL1
SCHEMBL22305088 0.80 F9 (0.49) SMN1; SMN2TDP1L3MBTL1HPGDPDK2
SCHEMBL22529610 0.79 PDK2 (0.46) SMN1; SMN2NPC1RAB9ATDP1L3MBTL1
SCHEMBL1680389 0.79 MAOB (0.54) HPGDF9F10MAOBPOLB
SCHEMBL1680400 0.79 MAOB (0.54) SMN1; SMN2RAB9ATRPM8HPGDPDK2
SCHEMBL920854 0.78 HPGD (0.47) SMN1; SMN2NPC1RAB9ATDP1L3MBTL1
SCHEMBL21340437 0.77 APP (0.49) SMN1; SMN2NPC1RAB9AL3MBTL1TRPM8

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0667855-B1 SUBSTITUTED ARYLALKYNYL- AND HETEROARYLALKYNYL-N-HYDROXYUREA INHIBITORS OF LEUKOTRIENE BIOSYNTHESIS ABBOTT LAB (US) 1999-03-24 EP disclosed
US-5616596-A Substituted arylalkynyl-and heteroarylalkynl-N-hydroxyurea inhibitors of leukotriene biosynthesis ABBOTT LABORATORIES (US) 1997-04-01 US disclosed
EP-0667855-A4 SUBSTITUTED ARYLALKYNYL- AND HETEROARYLALKYNYL-N-HYDROXYUREA INHIBITORS OF LEUKOTRIENE BIOSYNTHESIS. ABBOTT LAB (US) 1996-02-21 EP disclosed
EP-0667855-A1 SUBSTITUTED ARYLALKYNYL- AND HETEROARYLALKYNYL-N-HYDROXYUREA INHIBITORS OF LEUKOTRIENE BIOSYNTHESIS ABBOTT LABORATORIES (US) 1995-08-23 EP disclosed
WO-1994011342-A1 SUBSTITUTED ARYLALKYNYL- AND HETEROARYLALKYNYL-N-HYDROXYUREA INHIBITORS OF LEUKOTRIENE BIOSYNTHESIS ABBOTT LABORATORIES (US) 1994-05-26 WO disclosed