SCHEMBL4037851

SCHEMBL4037851

Cc1ccccc1-c1ccc(C(=O)O)nc1-c1ccc(Cl)c(OCc2ccccc2)c1

nearest known ligand 0.47

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PTGER1 P34995 9/20 0.47
MCL1 Q07820 1/20 0.47
MGAM O43451 1/20 0.43
GAA P10253 1/20 0.43
SI P14410 1/20 0.43
MGAM2 Q2M2H8 1/20 0.43
NOTUM Q6P988 1/20 0.42
XDH P47989 1/20 0.41
CTSA P10619 1/20 0.41
MRGPRX4 Q96LA9 2/20 0.41
DHODH Q02127 1/20 0.41
EIF4E P06730 1/20 0.41
P4HTM Q9NXG6 1/20 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
SCHEMBL2491639 0.93 MCL1 (0.43) PTGER1MCL1NOTUMMRGPRX4DHODH
SCHEMBL4041123 0.92 MCL1 (0.46) PTGER1MCL1MGAMGAASI
SCHEMBL544584 0.91 NOTUM (0.51) PTGER1MCL1MGAMGAASI
SCHEMBL4037697 0.91 PTGER1 (0.50) PTGER1MCL1MGAMGAASI
SCHEMBL544396 0.89 PTGER1 (0.44) PTGER1MCL1MGAMGAASI
SCHEMBL4038980 0.87 PTGER1 (0.47) PTGER1MCL1MGAMGAASI
SCHEMBL4043788 0.85 MRGPRX4 (0.43) PTGER1MCL1XDHCTSAMRGPRX4
SCHEMBL2490382 0.85 KDM4E (0.43) PTGER1MCL1NOTUMCTSAMRGPRX4
SCHEMBL912838 0.85 KDM4E (0.45) EIF4E
SCHEMBL912923 0.84 NOTUM (0.44) MCL1NOTUMCTSAMRGPRX4DHODH

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