SCHEMBL250310

SCHEMBL250310

O=CCc1ccc(F)c(C(F)(F)F)c1

nearest known ligand 0.47

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PTPN7 P35236 6/20 0.47
DUSP3 P51452 6/20 0.47
AR P10275 1/20 0.46
NR3C2 P08235 1/20 0.43
KIF11 P52732 2/20 0.42
EPHX1 P07099 1/20 0.41
CYP3A4 P08684 1/20 0.41
CYP2D6 P10635 1/20 0.41
CYP2C9 P11712 1/20 0.41
CYP2C19 P33261 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
P2RX7 Q99572 3/20 0.39
VNN1 O95497 1/20 0.38
DAO P14920 1/20 0.38

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
SCHEMBL30486158 1.00 PTPN7 (0.47) PTPN7DUSP3ARNR3C2KIF11
SCHEMBL3637724 0.86 KIF11 (0.51) KIF11P2RX7DAO
SCHEMBL6858263 0.86 RXRA (0.47) PTPN7DUSP3ARKIF11DAO
SCHEMBL1568951 0.84 NR3C2 (0.46) PTPN7DUSP3ARNR3C2KIF11
SCHEMBL13284215 0.83 XDH (0.44) PTPN7DUSP3ARNR3C2KIF11
SCHEMBL41768 0.80 PTPN7 (0.45) PTPN7DUSP3ARNR3C2KIF11
SCHEMBL2642102 0.80 AR (0.48) PTPN7DUSP3ARNR3C2KIF11
SCHEMBL10662203 0.79 PTPN7 (0.47) PTPN7DUSP3ARNR3C2KIF11
SCHEMBL12106845 0.79 DAO (0.39) KIF11DAO
SCHEMBL7861160 0.79 MAPT (0.39) PTPN7DUSP3KIF11EPHX1NPSR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3759098-A1 PYRIDINE-SULFONAMIDE COMPOUNDS AND THEIR USE AGAINST PAIN AND RELATED CONDITIONS Genentech, Inc. (US) 2021-01-06 EP disclosed
WO-2019165290-A1 PYRIDINE-SULFONAMIDE COMPOUNDS AND THEIR USE AGAINST PAIN AND RELATED CONDITIONS GENENTECH, INC. (US) 2019-08-29 WO disclosed
EP-3148972-A1 PYRAZOLONE DERIVATIVES AS NITROXYL DONORS Cardioxyl Pharmaceuticals Inc. (US) 2017-04-05 EP disclosed
WO-2015183839-A1 PYRAZOLONE DERIVATIVES AS NITROXYL DONORS CARDIOXYL PHARMACEUTICALS, INC. (US) 2015-12-03 WO disclosed
EP-2906544-A1 SUBSTITUTED PHENYLCARBAMATE COMPOUNDS F. Hoffmann-La Roche AG (CH) 2015-08-19 EP disclosed
WO-2014056958-A1 SUBSTITUTED PHENYLCARBAMATE COMPOUNDS F. HOFFMANN-LA ROCHE AG (CH) 2014-04-17 WO disclosed
EP-2401275-A1 NOVEL BRONCHODILATING DIAZAHETEROARYLS Respiratorius AB (SE) 2012-01-04 EP disclosed
EP-2254885-A1 (PYRAZOLYL CARBONYL)IMIDAZOLIDINONE DERIVATIVES FOR THE TREATMENT OF RETROVIRAL DISEASES AiCuris GmbH & Co. KG (DE) 2010-12-01 EP disclosed
WO-2010097410-A1 NOVEL BRONCHODILATING DIAZAHETEROARYLS RESPIRATORIUS AB (SE) 2010-09-02 WO disclosed
EP-1917250-B1 ANTI-INFLAMMATORY ARYL NITRILE COMPOUNDS AMGEN INC (US) 2010-07-21 EP disclosed
WO-2009115213-A1 (PYRAZOLYL CARBONYL)IMIDAZOLIDINONE DERIVATIVES FOR THE TREATMENT OF RETROVIRAL DISEASES AICURIS GMBH & CO. KG (DE) 2009-09-24 WO disclosed
EP-2046746-A2 CHEMICAL COMPOUNDS Praecis Pharmaceuticals Incorporated (US) 2009-04-15 EP disclosed
WO-2008016692-A2 CHEMICAL COMPOUNDS PRAECIS PHARMACEUTICALS INCORPORATED (US) 2008-02-07 WO disclosed
EP-1725546-A1 PYRAZOLYL INDOLYL DERIVATIVES AS PPAR ACTIVATORS F.HOFFMANN-LA ROCHE AG (CH) 2006-11-29 EP disclosed
EP-1682508-A1 PHENYL DERIVATIVES AS PPAR AGONISTS F. HOFFMANN-LA ROCHE AG (CH) 2006-07-26 EP disclosed
WO-2005085235-A1 PYRAZOLYL INDOLYL DERIVATIVES AS PPAR ACTIVATORS F. HOFFMANN-LA ROCHE AG (CH) 2005-09-15 WO disclosed
WO-2005049573-A1 PHENYL DERIVATIVES AS PPAR AGONISTS F. HOFFMANN-LA ROCHE AG (CH) 2005-06-02 WO disclosed