SCHEMBL2489148

SCHEMBL2489148

COc1ccc(COc2cc(-c3nc(C(=O)O)ccc3OS(=O)(=O)C(F)(F)F)ccc2Cl)cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PPARD Q03181 2/20 0.43
PTPN1 P18031 1/20 0.39
MRGPRX4 Q96LA9 6/20 0.39
KMO O15229 1/20 0.38
KDM4E B2RXH2 2/20 0.38
CYP1A2 P05177 2/20 0.38
CYP2C9 P11712 2/20 0.38
CYP2C19 P33261 2/20 0.38
ALDH1A1 P00352 1/20 0.38
XDH P47989 3/20 0.38
CTSA P10619 1/20 0.38
PTGER1 P34995 1/20 0.37
POLB P06746 2/20 0.37
LMNA P02545 1/20 0.37
CYP3A4 P08684 1/20 0.37
NPC1 O15118 1/20 0.36
RAB9A P51151 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
KEAP1 Q14145 1/20 0.36
NFE2L2 Q16236 1/20 0.36

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
SCHEMBL544658 0.93 PPARD (0.42) PPARDPTPN1MRGPRX4KDM4ECYP1A2
SCHEMBL4041696 0.90 PTGER1 (0.44) MRGPRX4XDHCTSAPTGER1
SCHEMBL2492927 0.86 KMO (0.44) PPARDMRGPRX4KMOKDM4ECYP1A2
SCHEMBL544645 0.85 NOTUM (0.49) MRGPRX4CTSAPTGER1
SCHEMBL2490382 0.79 KDM4E (0.43) PPARDMRGPRX4KMOKDM4ECYP1A2
SCHEMBL2492027 0.78 CSNK2A2 (0.41) PPARDMRGPRX4KMOKDM4ECYP1A2
SCHEMBL2491639 0.78 MCL1 (0.43) MRGPRX4KMOKDM4ECYP1A2CYP2C9
SCHEMBL4038711 0.78 FFAR1 (0.42) PPARDMRGPRX4KMOKDM4ECYP1A2
SCHEMBL913698 0.78 NOTUM (0.45) PPARDMRGPRX4KDM4ECYP1A2CYP2C9
SCHEMBL2488886 0.77 CSNK2A2 (0.39) PPARDMRGPRX4KMOKDM4ECYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2439193-B1 Derivatives of 5,6-bisaryl-2-pyridine-carboxamide, preparation and use thereof in therapeutics as antagonists of urotensin II receptors SANOFI SA (FR) 2014-04-23 EP disclosed
EP-2059508-B1 5,6-BISARYL-2-PYRIDINE-CARBOXAMIDE DERIVATIVES, PREPARATION AND APPLICATION THEREOF IN THERAPEUTICS AS UROTENSIN II RECEPTOR ANTAGONISTS SANOFI SA (FR) 2012-04-11 EP disclosed
EP-2238110-B1 5.6-BISARYL-2-PYRIDINE-CARBOXAMIDE DERIVATIVES, PREPARATION THEREOF AND THERAPEUTIC APPLICATION THEREOF AS ANTAGONISTS FOR UROTENSINE II RECEPTORS SANOFI SA (FR) 2011-10-26 EP disclosed
EP-2238110-A1 5.6-BISARYL-2-PYRIDINE-CARBOXAMIDE DERIVATIVES, PREPARATION THEREOF AND THERAPEUTIC APPLICATION THEREOF AS ANTAGONISTS FOR UROTENSINE II RECEPTORS Sanofi-Aventis (FR) 2010-10-13 EP disclosed
WO-2009115665-A1 5.6-BISARYL-2-PYRIDINE-CARBOXAMIDE DERIVATIVES, PREPARATION THEREOF AND THERAPEUTIC APPLICATION THEREOF AS ANTAGONISTS FOR UROTENSINE II RECEPTORS SANOFI-AVENTIS (FR) 2009-09-24 WO disclosed
EP-2059508-A1 5,6-BISARYL-2-PYRIDINE-CARBOXAMIDE DERIVATIVES, PREPARATION AND APPLICATION THEREOF IN THERAPEUTICS AS UROTENSIN II RECEPTOR ANTAGONISTS Sanofi-Aventis (FR) 2009-05-20 EP disclosed
WO-2008020124-A1 5,6-BISARYL-2-PYRIDINE-CARBOXAMIDE DERIVATIVES, PREPARATION AND APPLICATION THEREOF IN THERAPEUTICS AS UROTENSIN II RECEPTOR ANTAGONISTS SANOFI-AVENTIS (FR) 2008-02-21 WO disclosed