SCHEMBL9026098

SCHEMBL9026098

NC(=O)N(O)CC#CCc1ccc(COCc2ccc(F)cc2)s1

nearest known ligand 0.55

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 10/20 0.55
EPHX2 P34913 1/20 0.38
HDAC4 P56524 1/20 0.36
HDAC6 Q9UBN7 1/20 0.36
MAOB P27338 1/20 0.34
PARP10 Q53GL7 1/20 0.34
KMT2A Q03164 2/20 0.33
ALDH1A1 P00352 2/20 0.33
MEN1 O00255 1/20 0.33
KCNH2 Q12809 1/20 0.32
IDO1 P14902 2/20 0.31
AGXT P21549 2/20 0.31
KDM4E B2RXH2 1/20 0.31

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
SCHEMBL527586 0.86 ALOX5 (0.72) ALOX5EPHX2KMT2AALDH1A1MEN1
SCHEMBL9024981 0.85 ALOX5 (0.50) ALOX5MAOBPARP10
SCHEMBL8305231 0.85 ALOX5 (0.58) ALOX5EPHX2ALDH1A1
SCHEMBL9024444 0.79 ALOX5 (0.44) ALOX5MAOBPARP10KMT2AALDH1A1
SCHEMBL9078235 0.78 ALOX5 (0.55) ALOX5
SCHEMBL9023854 0.77 ALOX5 (0.51) ALOX5EPHX2KMT2AALDH1A1MEN1
SCHEMBL9025717 0.75 ALOX5 (0.49) ALOX5EPHX2
SCHEMBL8305227 0.74 ALOX5 (0.48) ALOX5EPHX2
SCHEMBL5986472 0.74 ALOX5 (0.56) ALOX5EPHX2KMT2AMEN1KCNH2
SCHEMBL9025000 0.74 ALOX5 (0.56) 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-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