SCHEMBL4041629

SCHEMBL4041629

CN(C)CCCOc1cc(-c2nc(C(=O)O)ccc2-c2ccccn2)ccc1Cl

nearest known ligand 0.41

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ACVR1B P36896 1/20 0.41
TGFBR1 P36897 1/20 0.41
KDM4E B2RXH2 5/20 0.40
MAPT P10636 1/20 0.40
MAPK1 P28482 1/20 0.40
ATM Q13315 1/20 0.40
PAICS P22234 3/20 0.38
KMO O15229 3/20 0.37
ALDH1A1 P00352 1/20 0.37
LMNA P02545 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
PTPN1 P18031 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
SCHEMBL543860 0.91 ACVR1B (0.40) ACVR1BTGFBR1KDM4EMAPTMAPK1
SCHEMBL4038154 0.88 PAICS (0.39) KDM4EMAPTMAPK1ATMPAICS
SCHEMBL2488871 0.88 SLC6A9 (0.46) KDM4EMAPTMAPK1ATMPAICS
Hydrochloric Acid SCHEMBL914386 0.87 SLC6A9 (0.45) KDM4EMAPTMAPK1ATMPAICS
SCHEMBL912838 0.86 KDM4E (0.45) KDM4EMAPTMAPK1ATMPAICS
SCHEMBL27806950 0.84 KDM4E (0.39) KDM4EMAPTMAPK1ATMPAICS
SCHEMBL4038959 0.84 PTGER1 (0.48)
SCHEMBL544335 0.84 KMO (0.41) KDM4EMAPTMAPK1ATMPAICS
SCHEMBL544570 0.83 KDM4E (0.46) KDM4EMAPTMAPK1ATMPAICS
SCHEMBL913599 0.83 PAICS (0.41) KDM4EMAPTMAPK1ATMPAICS

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