SCHEMBL4038154

SCHEMBL4038154

CN(C)CCCOc1cc(-c2nc(C(=O)O)ccc2-c2ncccc2Cl)ccc1Cl

nearest known ligand 0.39

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PAICS P22234 4/20 0.39
KDM4E B2RXH2 6/20 0.39
ATM Q13315 2/20 0.39
MAPT P10636 1/20 0.39
MAPK1 P28482 1/20 0.39
ALDH1A1 P00352 2/20 0.37
LMNA P02545 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
SLC6A9 P48067 1/20 0.36
KMO O15229 3/20 0.36
KDR P35968 1/20 0.35
HSP90AB1 P08238 1/20 0.34
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
CTSA P10619 1/20 0.34

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
SCHEMBL544971 0.91 PAICS (0.38) PAICSKDM4EATMMAPTMAPK1
SCHEMBL2488871 0.89 SLC6A9 (0.46) PAICSKDM4EATMMAPTMAPK1
SCHEMBL4041629 0.88 ACVR1B (0.41) PAICSKDM4EATMMAPTMAPK1
Hydrochloric Acid SCHEMBL914386 0.88 SLC6A9 (0.45) PAICSKDM4EATMMAPTMAPK1
SCHEMBL913599 0.87 PAICS (0.41) PAICSKDM4EATMMAPTMAPK1
SCHEMBL912856 0.86 KDM4E (0.40) PAICSKDM4EATMMAPTMAPK1
SCHEMBL912838 0.85 KDM4E (0.45) PAICSKDM4EATMMAPTMAPK1
SCHEMBL544335 0.84 KMO (0.41) PAICSKDM4EATMMAPTMAPK1
SCHEMBL4037740 0.84 CNR1 (0.47) ATM
Bicarbonate SCHEMBL16493717 0.84 CNR1 (0.45) ATM

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