SCHEMBL527586

SCHEMBL527586

NC(=O)N(O)CC#CCc1ccc(Cc2ccc(F)cc2)s1

nearest known ligand 0.72

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 12/20 0.72
EPHX2 P34913 1/20 0.50
SMN1; SMN2 Q16637 2/20 0.32
KDM4E B2RXH2 1/20 0.32
MEN1 O00255 1/20 0.32
NPC1 O15118 1/20 0.32
ALDH1A1 P00352 1/20 0.32
LMNA P02545 1/20 0.32
HPGD P15428 1/20 0.32
NFKB1 P19838 1/20 0.32
RAB9A P51151 1/20 0.32
NFKB2 Q00653 1/20 0.32
KMT2A Q03164 1/20 0.32
RELA Q04206 1/20 0.32
HRH1 P35367 1/20 0.32
ABL1 P00519 1/20 0.32
TP53 P04637 1/20 0.32
RIPK1 Q13546 1/20 0.32

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
SCHEMBL8305231 0.89 ALOX5 (0.58) ALOX5EPHX2SMN1; SMN2NPC1ALDH1A1
SCHEMBL5986472 0.88 ALOX5 (0.56) ALOX5EPHX2MEN1KMT2AABL1
SCHEMBL9026054 0.87 ALOX5 (0.55) ALOX5EPHX2SMN1; SMN2KDM4EMEN1
SCHEMBL9026098 0.86 ALOX5 (0.55) ALOX5EPHX2KDM4EMEN1ALDH1A1
SCHEMBL9025912 0.85 ALOX5 (0.54) ALOX5EPHX2LMNA
SCHEMBL9025672 0.85 ALOX5 (0.53) ALOX5EPHX2
SCHEMBL8309551 0.84 ALOX5 (1.00) ALOX5EPHX2SMN1; SMN2KDM4EMEN1
SCHEMBL9282958 0.82 ALOX5 (0.59) ALOX5EPHX2SMN1; SMN2KDM4EMEN1
SCHEMBL9025000 0.82 ALOX5 (0.56) ALOX5EPHX2
SCHEMBL9024981 0.82 ALOX5 (0.50) ALOX5HRH1

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 24 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-1998058645-A1 (S)-(-)-N-[3- [5-[(4-FLUOROPHENYL)METHYL] -2-THIENYL]-1-METHYL -2-PROPYNYL]-N-HYDROXYUREA SEPRACOR, INC. (US) 1998-12-30 WO claimed
EP-0804157-A1 AEROSOL DRUG FORMULATIONS CONTAINING VITAMIN E Abbott Laboratories (US) 1997-11-05 EP claimed
EP-0667855-A4 SUBSTITUTED ARYLALKYNYL- AND HETEROARYLALKYNYL-N-HYDROXYUREA INHIBITORS OF LEUKOTRIENE BIOSYNTHESIS. ABBOTT LAB (US) 1996-02-21 EP claimed
WO-1995024892-A1 AEROSOL DRUG FORMULATIONS CONTAINING VITAMIN E ABBOTT LABORATORIES (US) 1995-09-21 WO 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-2598141-A2 PHENYLALKYL N-HYDROXYUREAS FOR TREATING LEUKOTRIENE RELATED PATHOLOGIES Tallikut Pharmaceuticals, Inc. (US) 2013-06-05 EP disclosed
WO-2012015750-A2 PHENYLALKYL N-HYDROXYUREAS FOR TREATING LEUKOTRIENE RELATED PATHOLOGIES MADRIGAL PHARMACEUTICALS, INC. (US) 2012-02-02 WO disclosed
EP-1871908-A2 SUSCEPTIBILITY GENE FOR MYOCARDIAL INFARCTION, STROKE AND PAOD; METHODS OF TREATMENT Decode Genetics EHF. (IS) 2008-01-02 EP disclosed
EP-1718284-A2 SUSCEPTIBILITY GENE FOR MYOCARDIAL INFRACTION, STROKE, AND PAOD; METHODS OF TREATMENT Decode Genetics EHF. (IS) 2006-11-08 EP disclosed
WO-2006105439-A2 SUSCEPTIBILITY GENE FOR MYOCARDIAL INFARCTION, STROKE. AND PAOD; METHODS OF TREATMENT DECODE GENETICS EHF. (IS) 2006-10-05 WO disclosed
EP-1579010-A2 SUSCEPTIBILITY GENE FOR MYOCARDIAL INFARCTION; METHODS OF TREATMENT Decode Genetics EHF. (IS) 2005-09-28 EP disclosed
WO-2005075022-A2 SUSCEPTIBILITY GENE FOR MYOCARDIAL INFRACTION, STROKE, AND PAOD; METHODS OF TREATMENT DECODE GENETICS EHF. (IS) 2005-08-18 WO disclosed
WO-1998042383-A1 CHARGED LIPIDS AND USES FOR THE SAME IMARX PHARMACEUTICAL CORP. (US) 1998-10-01 WO disclosed
EP-0804157-A1 AEROSOL DRUG FORMULATIONS CONTAINING VITAMIN E Abbott Laboratories (US) 1997-11-05 EP disclosed
EP-0667855-A4 SUBSTITUTED ARYLALKYNYL- AND HETEROARYLALKYNYL-N-HYDROXYUREA INHIBITORS OF LEUKOTRIENE BIOSYNTHESIS. ABBOTT LAB (US) 1996-02-21 EP disclosed
WO-1995030671-A1 SUBSTITUTED ARYL- AND HETEROARYLALKENYL-N-HYDROXYUREA INHIBITORS OF LEUKOTRIENE BIOSYNTHESIS ABBOTT LABORATORIES (US) 1995-11-16 WO disclosed
WO-1995024892-A1 AEROSOL DRUG FORMULATIONS CONTAINING VITAMIN E ABBOTT LABORATORIES (US) 1995-09-21 WO 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