SCHEMBL4037797

SCHEMBL4037797

O=C(O)c1ccc(-c2ncccc2Cl)c(-c2ccc(Cl)c(OCc3ccccc3)c2)n1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGER1 P34995 10/20 0.48
XDH P47989 1/20 0.43
CTSA P10619 1/20 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
HPGD P15428 2/20 0.42
MEN1 O00255 1/20 0.42
NPC1 O15118 1/20 0.42
MITF O75030 1/20 0.42
TP53 P04637 1/20 0.42
XBP1 P17861 1/20 0.42
NFKB1 P19838 1/20 0.42
RAB9A P51151 1/20 0.42
NFKB2 Q00653 1/20 0.42
KMT2A Q03164 1/20 0.42
RELA Q04206 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
RXRA P19793 1/20 0.42

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
SCHEMBL544265 0.91 NOTUM (0.50) PTGER1CTSAMGAMGAASI
SCHEMBL4037697 0.89 PTGER1 (0.50) PTGER1XDHCTSAMGAMGAA
SCHEMBL4038959 0.88 PTGER1 (0.48) PTGER1XDHCTSAMGAMGAA
SCHEMBL4041924 0.87 PTGER1 (0.46) PTGER1MGAMGAASIMGAM2
SCHEMBL4037851 0.84 PTGER1 (0.47) PTGER1XDHCTSAMGAMGAA
SCHEMBL544396 0.83 PTGER1 (0.44) PTGER1XDHCTSAMGAMGAA
SCHEMBL4036485 0.83 PTGER1 (0.47) PTGER1XDHCTSAMGAMGAA
SCHEMBL4038154 0.83 PAICS (0.39) CTSAMEN1KMT2ASMN1; SMN2
SCHEMBL4041123 0.82 MCL1 (0.46) PTGER1XDHCTSAMGAMGAA
SCHEMBL2490382 0.81 KDM4E (0.43) PTGER1CTSAHPGDRXRARXRB

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