SCHEMBL8307765

SCHEMBL8307765

C[C@H](C#Cc1ccc(Cc2cccnc2)s1)N(O)C(N)=O

nearest known ligand 0.67

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 9/20 0.67
EPHX2 P34913 2/20 0.67
ACACB O00763 1/20 0.46
ACACA Q13085 1/20 0.46
TBXAS1 P24557 6/20 0.46
NR1D1 P20393 4/20 0.40
NR1H3 Q13133 2/20 0.40

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
SCHEMBL8307767 1.00 ALOX5 (0.67) ALOX5EPHX2ACACBACACATBXAS1
SCHEMBL8309173 0.87 ALOX5 (0.76) ALOX5EPHX2ACACBACACA
SCHEMBL8309174 0.87 ALOX5 (0.76) ALOX5EPHX2ACACBACACA
SCHEMBL8303838 0.87 ALOX5 (0.79) ALOX5EPHX2ACACBACACA
SCHEMBL8303836 0.87 ALOX5 (0.79) ALOX5EPHX2ACACBACACA
SCHEMBL8307175 0.84 ALOX5 (0.65) ALOX5EPHX2ACACBACACA
SCHEMBL8304304 0.81 ALOX5 (0.77) ALOX5EPHX2ACACBACACA
Atreleuton SCHEMBL2107799 0.81 ALOX5 (1.00) ALOX5EPHX2ACACBACACA
Atreleuton SCHEMBL2108309 0.81 ALOX5 (1.00) ALOX5EPHX2ACACBACACA
SCHEMBL2109638 0.81 ALOX5 (0.80) ALOX5EPHX2ACACBACACA

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 9 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 claimed
EP-0667855-A4 SUBSTITUTED ARYLALKYNYL- AND HETEROARYLALKYNYL-N-HYDROXYUREA INHIBITORS OF LEUKOTRIENE BIOSYNTHESIS. ABBOTT LAB (US) 1996-02-21 EP claimed
EP-0667855-A1 SUBSTITUTED ARYLALKYNYL- AND HETEROARYLALKYNYL-N-HYDROXYUREA INHIBITORS OF LEUKOTRIENE BIOSYNTHESIS ABBOTT LABORATORIES (US) 1995-08-23 EP claimed
WO-1994011342-A1 SUBSTITUTED ARYLALKYNYL- AND HETEROARYLALKYNYL-N-HYDROXYUREA INHIBITORS OF LEUKOTRIENE BIOSYNTHESIS ABBOTT LABORATORIES (US) 1994-05-26 WO claimed
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