SCHEMBL4035530

SCHEMBL4035530

Cc1ccccc1-c1ncc(C(=O)O)cc1-c1ccc(Cl)c(OCCCN(C)C)c1

nearest known ligand 0.45

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 6/20 0.45
ATM Q13315 2/20 0.45
MAPT P10636 1/20 0.45
MAPK1 P28482 1/20 0.45
SLC6A9 P48067 4/20 0.41
ALDH1A1 P00352 3/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
THRA P10827 1/20 0.38
THRB P10828 1/20 0.38
LMNA P02545 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
PAICS P22234 1/20 0.37
HRH1 P35367 1/20 0.37
CHEK2 O96017 1/20 0.36
KDR P35968 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
SCHEMBL544240 0.91 KDM4E (0.41) KDM4EATMMAPTMAPK1SLC6A9
SCHEMBL4037061 0.85 PTGER1 (0.50) SMN1; SMN2
Hydrochloric Acid SCHEMBL544379 0.84 CTSA (0.43)
SCHEMBL912838 0.80 KDM4E (0.45) KDM4EATMMAPTMAPK1SLC6A9
SCHEMBL544227 0.77 NOTUM (0.46) KDM4EMAPTALDH1A1SMN1; SMN2THRB
SCHEMBL544217 0.75 KDM4E (0.41) KDM4EATMMAPTMAPK1SLC6A9
SCHEMBL544401 0.74 PDE4A (0.44) KDM4EATMMAPTMAPK1ALDH1A1
Hydrochloric Acid SCHEMBL27751913 0.74 CTSA (0.37) PAICS
Bicarbonate SCHEMBL16493743 0.74 CNR1 (0.52) ATM
Hydrochloric Acid SCHEMBL544508 0.74 PAICS (0.37) KDM4EATMMAPTMAPK1PAICS

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