SCHEMBL4040384

SCHEMBL4040384

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

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EIF4E P06730 1/20 0.46
MCL1 Q07820 1/20 0.44
HSD17B14 Q9BPX1 2/20 0.42
BRAF P15056 4/20 0.40
RAF1 P04049 1/20 0.40
KMO O15229 1/20 0.39
CNR1 P21554 1/20 0.38
FTO Q9C0B1 1/20 0.38
PIM1 P11309 1/20 0.38
NR1H4 Q96RI1 1/20 0.38
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
KCNH2 Q12809 2/20 0.37
PPP1CA P62136 1/20 0.37
PRKAG1 P54619 1/20 0.37
PRKAA2 P54646 1/20 0.37
PRKAA1 Q13131 1/20 0.37
PRKAB1 Q9Y478 1/20 0.37
DHODH Q02127 1/20 0.36
MARS1 P56192 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
SCHEMBL545109 0.87 HSD17B14 (0.40) EIF4EMCL1HSD17B14CNR1PIM1
SCHEMBL1050097 0.85 EIF4E (0.44) EIF4EMCL1HSD17B14KMOCNR1
SCHEMBL934784 0.85 EIF4E (0.44) EIF4EMCL1HSD17B14KMOCNR1
SCHEMBL951541 0.84 HSD17B14 (0.43) EIF4EMCL1HSD17B14KMOFTO
SCHEMBL4037851 0.81 PTGER1 (0.47) EIF4EMCL1DHODH
SCHEMBL4042109 0.78 EIF4E (0.44) EIF4EKMOMARS1
SCHEMBL912838 0.78 KDM4E (0.45) EIF4EMEN1KMT2A
SCHEMBL4038194 0.77 FFAR1 (0.48) EIF4EMCL1CNR1MEN1KMT2A
SCHEMBL2491639 0.76 MCL1 (0.43) MCL1KMODHODH
SCHEMBL2488847 0.76 PTGS2 (0.42) BRAFRAF1KMOCNR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2009022171-A1 PYRIDINYIIOXY PYRIDINES AS ALK5 INHIBITORS ASTRAZENECA AB (SE) 2009-02-19 WO claimed
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-2009022171-A1 PYRIDINYIIOXY PYRIDINES AS ALK5 INHIBITORS ASTRAZENECA AB (SE) 2009-02-19 WO 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