SCHEMBL4044643

SCHEMBL4044643

O=C(O)c1cnc(OS(=O)(=O)C(F)(F)F)c(-c2ccc(Cl)c(OCc3ccccc3)c2)c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAP4K4 O95819 1/20 0.46
PTGER1 P34995 9/20 0.45
MRGPRX4 Q96LA9 4/20 0.43
CYP2C9 P11712 3/20 0.43
MGAM O43451 1/20 0.43
GAA P10253 1/20 0.43
SI P14410 1/20 0.43
MGAM2 Q2M2H8 1/20 0.43
CYP3A4 P08684 1/20 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
RELA Q04206 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
SCHEMBL543939 0.91 NOTUM (0.44) MAP4K4PTGER1MRGPRX4CYP2C9MGAM
SCHEMBL4041696 0.76 PTGER1 (0.44) PTGER1MRGPRX4MGAMGAASI
SCHEMBL4037061 0.76 PTGER1 (0.50) MAP4K4PTGER1MRGPRX4CYP2C9MGAM
SCHEMBL4039689 0.72 PTGER1 (0.52) MAP4K4PTGER1MRGPRX4CYP2C9MGAM
SCHEMBL544645 0.72 NOTUM (0.49) PTGER1MRGPRX4MGAMGAASI
SCHEMBL1934576 0.70 HPGD (0.70) PTGER1MRGPRX4HPGDMEN1NPC1
SCHEMBL2127732 0.70 CNR1 (0.50) MRGPRX4MEN1KMT2ARXRACNR1
SCHEMBL4041344 0.69 MRGPRX4 (0.55) PTGER1MRGPRX4CYP2C9HPGDMEN1
SCHEMBL14511858 0.69 TSHR (0.42) PTGER1MRGPRX4HPGDNPC1RAB9A
SCHEMBL411066 0.68 CNR1 (0.48) MRGPRX4CNR1

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