SCHEMBL1421967

SCHEMBL1421967

O=C(O)c1c[nH]c2cc(C3CC3)c(F)cc2c1=O

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.55
HPGD P15428 5/20 0.48
KMT2A Q03164 3/20 0.48
ALDH1A1 P00352 3/20 0.48
CYP1A2 P05177 2/20 0.48
MEN1 O00255 2/20 0.48
ALOX12 P18054 1/20 0.48
HSD17B10 Q99714 4/20 0.42
MAPT P10636 2/20 0.41
USP2 O75604 1/20 0.41
POLB P06746 1/20 0.41
PTPN7 P35236 1/20 0.41
HTT P42858 1/20 0.41
GAA P10253 1/20 0.40
CYP2C19 P33261 1/20 0.40
PRKAB2 O43741 4/20 0.40
PRKAG1 P54619 4/20 0.40
PRKAA2 P54646 4/20 0.40
PRKAA1 Q13131 4/20 0.40
PRKAG3 Q9UGI9 4/20 0.40

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
SCHEMBL631845 0.90 KDM4E (0.52) KDM4EHPGDKMT2AALDH1A1CYP1A2
Cyclopropane SCHEMBL9732364 0.85 KDM4E (0.45) KDM4EHPGDKMT2AALDH1A1CYP1A2
SCHEMBL4962381 0.84 KDM4E (0.48) KDM4EHPGDKMT2AALDH1A1CYP1A2
SCHEMBL2978428 0.82 KDM4E (0.67) KDM4EHPGDKMT2AALDH1A1CYP1A2
SCHEMBL5303665 0.81 KDM4E (0.48) KDM4EHPGDKMT2AALDH1A1CYP1A2
SCHEMBL7511784 0.81 KDM4E (0.48) KDM4EHPGDKMT2AALDH1A1CYP1A2
SCHEMBL10478126 0.77 KDM4E (0.60) KDM4EHPGDKMT2AALDH1A1CYP1A2
SCHEMBL28441880 0.77 KDM4E (0.60) KDM4EHPGDKMT2AALDH1A1CYP1A2
SCHEMBL8556198 0.75 MEN1 (0.39) KDM4EHPGDKMT2AALDH1A1MEN1
SCHEMBL10824140 0.75 HPGD (0.60) KDM4EHPGDKMT2AALDH1A1CYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1395215-A1 QUINOLONE CARBOXYLIC ACID COMPOSITIONS AND RELATED METHODS OF TREATMENT INSITE VISION INCORPORATED (US) 2004-03-10 EP claimed
WO-2002100309-A1 QUINOLONE CARBOXYLIC ACID COMPOSITIONS AND RELATED METHODS OF TREATMENT INSITE VISION INCORPORATED (US) 2002-12-19 WO claimed
EP-2296651-A1 5-HYDROXYMETHYL-OXAZOLIDIN-2-ONE DERIVATIVES FOR TREATING BACTERIAL INTESTINAL DISEASES Actelion Pharmaceuticals Ltd. (CH) 2011-03-23 EP disclosed
EP-2217606-A1 SOLUBILIZED THIAZOLOPYRIDINES Sirtris Pharmaceuticals, Inc. (US) 2010-08-18 EP disclosed
EP-2215066-A1 AMIDE DERIVATIVES AS SIRTUIN MODULATORS Sirtris Pharmaceuticals, Inc. (US) 2010-08-11 EP disclosed
EP-2167510-A1 SIRTUIN MODULATING IMIDAZOTHIAZOLE COMPOUNDS Sirtris Pharmaceuticals, Inc. (US) 2010-03-31 EP disclosed
WO-2009136379-A1 5-HYDROXYMETHYL-OXAZOLIDIN-2-ONE DERIVATIVES FOR TREATING BACTERIAL INTESTINAL DISEASES ACTELION PHARMACEUTICALS LTD (CH) 2009-11-12 WO disclosed
WO-2009061453-A1 SOLUBILIZED THIAZOLOPYRIDINES SIRTRIS PHARMACEUTICALS, INC. (US) 2009-05-14 WO disclosed
WO-2009058348-A1 AMIDE DERIVATIVES AS SIRTUIN MODULATORS SIRTRIS PHARMACEUTICALS, INC. (US) 2009-05-07 WO disclosed
WO-2008156866-A1 SIRTUIN MODULATING IMIDAZOTHIAZOLE COMPOUNDS SIRTRIS PHARMACEUTICALS, INC. (US) 2008-12-24 WO disclosed
EP-1910384-A1 IMIDAZO [2,1-B]THIAYOLE DERIVATIVES AS SIRTUIN MODULATING COMPOUNDS Sirtris Pharmaceuticals, Inc. (US) 2008-04-16 EP disclosed
WO-2007019344-A1 IMIDAZO [2,1-B] THIAYOLE DERIVATIVES AS SIRTUIN MODULATING COMPOUNDS SIRTRIS PHARMACEUTICALS, INC. (US) 2007-02-15 WO disclosed