SCHEMBL4039689

SCHEMBL4039689

O=C(O)c1c[nH]c(=O)c(-c2ccc(Cl)c(OCc3ccccc3)c2)c1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGER1 P34995 10/20 0.52
MRGPRX4 Q96LA9 3/20 0.50
CYP2C9 P11712 2/20 0.49
HPGD P15428 3/20 0.49
NPC1 O15118 2/20 0.49
RAB9A P51151 2/20 0.49
SMN1; SMN2 Q16637 2/20 0.49
MEN1 O00255 1/20 0.49
MITF O75030 1/20 0.49
TP53 P04637 1/20 0.49
XBP1 P17861 1/20 0.49
NFKB1 P19838 1/20 0.49
NFKB2 Q00653 1/20 0.49
KMT2A Q03164 1/20 0.49
RELA Q04206 1/20 0.49
RXRA P19793 1/20 0.49
RXRB P28702 1/20 0.49
MAP4K4 O95819 1/20 0.45
MCL1 Q07820 2/20 0.44
MGAM O43451 1/20 0.44

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
SCHEMBL543934 0.89 NOTUM (0.47) PTGER1MRGPRX4CYP2C9HPGDNPC1
SCHEMBL1934576 0.76 HPGD (0.70) PTGER1MRGPRX4HPGDNPC1RAB9A
SCHEMBL4041344 0.75 MRGPRX4 (0.55) PTGER1MRGPRX4CYP2C9HPGDNPC1
SCHEMBL4037061 0.74 PTGER1 (0.50) PTGER1MRGPRX4CYP2C9HPGDNPC1
SCHEMBL27772805 0.74 PTGER1 (0.60) PTGER1MRGPRX4CYP2C9HPGDNPC1
SCHEMBL3639904 0.73 PARP1 (0.50)
SCHEMBL4044643 0.72 MAP4K4 (0.46) PTGER1MRGPRX4CYP2C9HPGDNPC1
SCHEMBL3199944 0.70 NR4A2 (0.64) PTGER1MRGPRX4MEN1KMT2ARXRA
SCHEMBL3758648 0.70 HPGD (0.64) PTGER1MRGPRX4CYP2C9HPGDNPC1
SCHEMBL544895 0.70 PTGER1 (0.47) PTGER1MRGPRX4CYP2C9HPGDNPC1

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