SCHEMBL4041696

SCHEMBL4041696

O=C(O)c1ccc(OS(=O)(=O)C(F)(F)F)c(-c2ccc(Cl)c(OCc3ccccc3)c2)n1

nearest known ligand 0.44

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PTGER1 P34995 9/20 0.44
XDH P47989 1/20 0.42
MRGPRX4 Q96LA9 5/20 0.42
MGAM O43451 1/20 0.41
GAA P10253 1/20 0.41
SI P14410 1/20 0.41
MGAM2 Q2M2H8 1/20 0.41
CTSA P10619 1/20 0.40
CHRM4 P08173 1/20 0.39
CHRM3 P20309 1/20 0.39
CLCN2 P51788 1/20 0.39
MCL1 Q07820 1/20 0.39
TBXA2R P21731 1/20 0.39
NOTUM Q6P988 1/20 0.39

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
SCHEMBL544645 0.91 NOTUM (0.49) PTGER1MRGPRX4MGAMGAASI
SCHEMBL2489148 0.90 PPARD (0.43) PTGER1XDHMRGPRX4CTSA
SCHEMBL4036485 0.84 PTGER1 (0.47) PTGER1XDHMRGPRX4MGAMGAA
SCHEMBL544658 0.83 PPARD (0.42) MRGPRX4CTSANOTUM
SCHEMBL4037697 0.79 PTGER1 (0.50) PTGER1XDHMRGPRX4MGAMGAA
SCHEMBL4037851 0.77 PTGER1 (0.47) PTGER1XDHMRGPRX4MGAMGAA
SCHEMBL4038959 0.77 PTGER1 (0.48) PTGER1XDHMRGPRX4MGAMGAA
SCHEMBL4037797 0.77 PTGER1 (0.48) PTGER1XDHMRGPRX4MGAMGAA
SCHEMBL4044643 0.76 MAP4K4 (0.46) PTGER1XDHMRGPRX4MGAMGAA
SCHEMBL4041924 0.76 PTGER1 (0.46) PTGER1MRGPRX4MGAMGAASI

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 4 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-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