SCHEMBL4457296

SCHEMBL4457296

O=C(O)c1ccc(-n2ccnn2)cc1-n1ccnn1

nearest known ligand 0.49

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
NOTUM Q6P988 14/20 0.49
KEAP1 Q14145 1/20 0.44
HCRTR1 O43613 2/20 0.41
HCRTR2 O43614 2/20 0.41

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
SCHEMBL1696198 0.86 NOTUM (0.47) NOTUMKEAP1HCRTR1HCRTR2
SCHEMBL17422567 0.86 NOTUM (0.51) NOTUMKEAP1HCRTR1HCRTR2
SCHEMBL28457554 0.84 MYC (0.50) NOTUMHCRTR1HCRTR2
SCHEMBL19894027 0.83 MYC (0.51) NOTUM
SCHEMBL18016687 0.83 NOTUM (0.51) NOTUMKEAP1
SCHEMBL17984483 0.83 NOTUM (0.51) NOTUMKEAP1HCRTR1HCRTR2
SCHEMBL5790843 0.83 NOTUM (0.47) NOTUMHCRTR1HCRTR2
SCHEMBL30767902 0.82 NOTUM (0.46) NOTUM
SCHEMBL15882104 0.80 NOTUM (0.51) NOTUMKEAP1HCRTR1HCRTR2
SCHEMBL1586107 0.80 HCRTR1 (0.58) NOTUMHCRTR1HCRTR2

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 16 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2009054785-A1 1,2,4-TRIAZOLE ETHER DERIVATIVES AS MODULATORS OF MGLUR5 ASTRAZENECA AB (SE) 2009-04-30 WO claimed
EP-1978997-A1 TRANSDERMAL DELIVERY OF PHARMACEUTICAL AGENTS Apollo Life Sciences Limited (AU) 2008-10-15 EP claimed
WO-2007070983-A1 TRANSDERMAL DELIVERY OF PHARMACEUTICAL AGENTS APOLLO LIFE SCIENCES LIMITED (AU) 2007-06-28 WO claimed
EP-3538088-A1 HETEROCYCLIC MODULATORS OF LIPID SYNTHESIS 3-V Biosciences, Inc. (US) 2019-09-18 EP disclosed
WO-2019016637-A1 A PROCESS FOR THE PREPARATION OF DEFERASIROX AUROBINDO PHARMA LIMITED (IN) 2019-01-24 WO disclosed
WO-2018089904-A1 HETEROCYCLIC MODULATORS OF LIPID SYNTHESIS 3-V BIOSCIENCES, INC. (US) 2018-05-17 WO disclosed
EP-3166404-A1 IMPROVED PROCESS FOR PREPARATION OF 4-(1-(4-(PERFLUOROETHOXY)PHENYL)-1H-1,2,4-TRIAZOL-3-YL)BENZOYL AZIDE Dow AgroSciences LLC (US) 2017-05-17 EP disclosed
WO-2016007726-A1 IMPROVED PROCESS FOR PREPARATION OF 4-(1-(4-(PERFLUOROETHOXY)PHENYL)-1H-1,2,4-TRIAZOL-3-YL)BENZOYL AZIDE DOW AGROSCIENCES LLC (US) 2016-01-14 WO disclosed
EP-2925322-A1 INHIBITORS OF THE RENAL OUTER MEDULLARY POTASSIUM CHANNEL Merck Sharp & Dohme Corp. (US) 2015-10-07 EP disclosed
WO-2014085210-A1 INHIBITORS OF THE RENAL OUTER MEDULLARY POTASSIUM CHANNEL MERCK SHARP & DOHME CORP. (US) 2014-06-05 WO disclosed
EP-2718284-A1 TRIAZOLONE COMPOUNDS AS mPGES-1 INHIBITORS Glenmark Pharmaceuticals S.A. (CH) 2014-04-16 EP disclosed
WO-2013186692-A1 TRIAZOLONE COMPOUNDS AS mPGES-1 INHIBITORS GLENMARK PHARMACEUTICALS S.A. (CH) 2013-12-19 WO disclosed
EP-2137170-A1 DESFERRITHIOCIN POLYETHER ANALOGUES UNIVERSITY OF FLORIDA RESEARCH FOUNDATION, INC. (US) 2009-12-30 EP disclosed
EP-2046762-A2 TRIAZOLYL PHENYL BENZENESULFONAMIDES ChemoCentryx Inc (US) 2009-04-15 EP disclosed
WO-2008115433-A1 DESFERRITHIOCIN POLYETHER ANALOGUES UNIVERSITY OF FLORIDA (US) 2008-09-25 WO disclosed
WO-2008010934-A2 TRIAZOLYL PHENYL BENZENESULFONAMIDES CHEMOCENTRYX, INC. (US) 2008-01-24 WO disclosed