SCHEMBL4041969

SCHEMBL4041969

Nc1ncc(C(=O)O)nc1-c1ccc(Cl)c(OCc2ccccc2)c1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAP4K4 O95819 1/20 0.55
MGAM O43451 1/20 0.51
GAA P10253 1/20 0.51
SI P14410 1/20 0.51
MGAM2 Q2M2H8 1/20 0.51
PTGER1 P34995 4/20 0.46
MRGPRX4 Q96LA9 2/20 0.44
XDH P47989 2/20 0.44
CTSA P10619 1/20 0.43
MCL1 Q07820 2/20 0.43
HPGD P15428 2/20 0.43
MEN1 O00255 1/20 0.43
NPC1 O15118 1/20 0.43
MITF O75030 1/20 0.43
TP53 P04637 1/20 0.43
XBP1 P17861 1/20 0.43
NFKB1 P19838 1/20 0.43
RAB9A P51151 1/20 0.43
NFKB2 Q00653 1/20 0.43
KMT2A Q03164 1/20 0.43

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
SCHEMBL545186 0.90 NOTUM (0.53) MAP4K4MGAMGAASIMGAM2
SCHEMBL4041265 0.87 PTGER1 (0.46) MAP4K4MGAMGAASIMGAM2
SCHEMBL4038980 0.83 PTGER1 (0.47) MAP4K4MGAMGAASIMGAM2
SCHEMBL4036485 0.82 PTGER1 (0.47) MAP4K4MGAMGAASIMGAM2
SCHEMBL4037530 0.80 PTGER1 (0.46) MAP4K4MGAMGAASIMGAM2
SCHEMBL4037697 0.80 PTGER1 (0.50) MGAMGAASIMGAM2PTGER1
SCHEMBL4041924 0.79 PTGER1 (0.46) MGAMGAASIMGAM2PTGER1
SCHEMBL4038959 0.77 PTGER1 (0.48) MGAMGAASIMGAM2PTGER1
SCHEMBL4037797 0.77 PTGER1 (0.48) MGAMGAASIMGAM2PTGER1
SCHEMBL4037851 0.77 PTGER1 (0.47) MGAMGAASIMGAM2PTGER1

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-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
EP-1448218-A4 BETA-SECRETASE INHIBITORS AND METHODS OF USE OKLAHOMA MED RES FOUND (US) 2009-01-14 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
EP-1448218-A2 BETA-SECRETASE INHIBITORS AND METHODS OF USE Oklahoma Medical Research Foundation (US) 2004-08-25 EP disclosed
WO-2003039454-A2 BETA-SECRETASE INHIBITORS AND METHODS OF USE OKLAHOMA MEDICAL RESEARCH FOUNDATION (US) 2003-05-15 WO disclosed