SCHEMBL2488871

SCHEMBL2488871

CN(C)CCCOc1cc(-c2nc(C(=O)O)ccc2-c2ccccc2Cl)ccc1Cl

nearest known ligand 0.46

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
SLC6A9 P48067 5/20 0.46
KDM4E B2RXH2 8/20 0.43
ATM Q13315 2/20 0.42
MAPT P10636 1/20 0.42
MAPK1 P28482 1/20 0.42
CHEK1 O14757 2/20 0.40
WEE1 P30291 2/20 0.40
PAICS P22234 1/20 0.40
ALDH1A1 P00352 4/20 0.39
SMN1; SMN2 Q16637 3/20 0.39
CDK1 P06493 1/20 0.39
LMNA P02545 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37

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
Hydrochloric Acid SCHEMBL914386 0.99 SLC6A9 (0.45) SLC6A9KDM4EATMMAPTMAPK1
SCHEMBL912838 0.93 KDM4E (0.45) SLC6A9KDM4EATMMAPTMAPK1
SCHEMBL544621 0.91 SLC6A9 (0.42) SLC6A9KDM4EATMMAPTMAPK1
SCHEMBL27806950 0.90 KDM4E (0.39) SLC6A9KDM4EATMMAPTMAPK1
SCHEMBL544570 0.90 KDM4E (0.46) KDM4EATMMAPTMAPK1PAICS
SCHEMBL4038154 0.89 PAICS (0.39) SLC6A9KDM4EATMMAPTMAPK1
SCHEMBL4041629 0.88 ACVR1B (0.41) KDM4EATMMAPTMAPK1PAICS
Hydrochloric Acid SCHEMBL544394 0.86 KDM4E (0.44) KDM4EATMMAPTMAPK1PAICS
SCHEMBL544335 0.86 KMO (0.41) SLC6A9KDM4EATMMAPTMAPK1
Hydrochloric Acid SCHEMBL544698 0.85 CTSA (0.40) SLC6A9KDM4EATMMAPTMAPK1

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 7 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
CN-101981008-B 5, 6-diaryl-pyridine-2-carboxamide derivatives, preparation thereof and therapeutic use thereof as urotensin II receptor antagonists SANOFI AVENTIS 2013-07-31 CN 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-2238110-B1 5.6-BISARYL-2-PYRIDINE-CARBOXAMIDE DERIVATIVES, PREPARATION THEREOF AND THERAPEUTIC APPLICATION THEREOF AS ANTAGONISTS FOR UROTENSINE II RECEPTORS SANOFI SA (FR) 2011-10-26 EP disclosed
CN-101981008-A 5, 6-diaryl-pyridine-2-carboxamide derivatives, preparation thereof and therapeutic use thereof as urotensin II receptor antagonists SANOFI AVENTIS 2011-02-23 CN 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