SCHEMBL9025522

SCHEMBL9025522

NC(=O)N(O)CC#CCc1sccc1Cc1ccc(F)cc1

nearest known ligand 0.53

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 9/20 0.53
EPHX2 P34913 1/20 0.36
MAPK8 P45983 1/20 0.34
MEN1 O00255 1/20 0.34
ALDH1A1 P00352 1/20 0.34
KMT2A Q03164 1/20 0.34
PTGS1 P23219 1/20 0.32
MAOB P27338 1/20 0.30
PARP10 Q53GL7 1/20 0.30

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
SCHEMBL9024444 0.87 ALOX5 (0.44) ALOX5MAPK8MEN1ALDH1A1KMT2A
SCHEMBL527586 0.77 ALOX5 (0.72) ALOX5EPHX2MEN1ALDH1A1KMT2A
SCHEMBL9025000 0.77 ALOX5 (0.56) ALOX5EPHX2MAPK8
SCHEMBL9025191 0.76 ALOX5 (0.58) ALOX5EPHX2
SCHEMBL9025062 0.75 ALOX5 (0.56) ALOX5EPHX2ALDH1A1
SCHEMBL9025772 0.74 ALOX5 (0.55) ALOX5EPHX2MEN1ALDH1A1KMT2A
SCHEMBL9282958 0.73 ALOX5 (0.59) ALOX5EPHX2MEN1ALDH1A1KMT2A
SCHEMBL8305231 0.71 ALOX5 (0.58) ALOX5EPHX2ALDH1A1
SCHEMBL8309551 0.69 ALOX5 (1.00) ALOX5EPHX2MEN1ALDH1A1KMT2A
SCHEMBL9026098 0.69 ALOX5 (0.55) ALOX5EPHX2MEN1ALDH1A1KMT2A

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