SCHEMBL8310304

SCHEMBL8310304

CC(C#Cc1sccc1COCc1ccc(F)cc1)N(O)C(N)=O

nearest known ligand 0.53

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 19/20 0.53
EPHX2 P34913 8/20 0.53
MEN1 O00255 1/20 0.37
ALDH1A1 P00352 1/20 0.37
KMT2A Q03164 1/20 0.37

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
SCHEMBL8310300 1.00 ALOX5 (0.53) ALOX5EPHX2MEN1ALDH1A1KMT2A
SCHEMBL8306855 0.87 ALOX5 (0.62) ALOX5EPHX2
SCHEMBL8305298 0.87 ALOX5 (0.62) ALOX5EPHX2
SCHEMBL8308536 0.78 ALOX5 (0.77) ALOX5EPHX2
SCHEMBL8308533 0.78 ALOX5 (0.77) ALOX5EPHX2
SCHEMBL8303774 0.75 ALOX5 (0.60) ALOX5EPHX2
SCHEMBL8303772 0.75 ALOX5 (0.60) ALOX5EPHX2
SCHEMBL8933544 0.71 ALOX5 (0.72) ALOX5EPHX2
SCHEMBL9046357 0.71 ALOX5 (0.65) ALOX5EPHX2
SCHEMBL8309411 0.70 ALOX5 (0.68) ALOX5EPHX2

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
EP-0667855-B1 SUBSTITUTED ARYLALKYNYL- AND HETEROARYLALKYNYL-N-HYDROXYUREA INHIBITORS OF LEUKOTRIENE BIOSYNTHESIS ABBOTT LAB (US) 1999-03-24 EP 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