SCHEMBL2492916

SCHEMBL2492916

Cc1ccc(C(F)F)c(-c2ccc(C(=O)NC3(C(=O)O)CCCCC3)nc2-c2ccc(Cl)c(OCCCN(C)C)c2)c1

nearest known ligand 0.35

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CTSA P10619 7/20 0.35
KDM4E B2RXH2 4/20 0.35
MAPT P10636 1/20 0.35
MAPK1 P28482 1/20 0.35
ATM Q13315 1/20 0.35
LPAR1 Q92633 2/20 0.35
PAICS P22234 3/20 0.34
PDE5A O76074 1/20 0.34
PDE4D Q08499 1/20 0.34
PDE7A Q13946 1/20 0.34
ERAP1 Q9NZ08 1/20 0.33
ALDH1A1 P00352 1/20 0.33
TDP1 Q9NUW8 1/20 0.33

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 SCHEMBL543965 0.99 CTSA (0.35) CTSAKDM4EMAPTMAPK1ATM
SCHEMBL914408 0.95 CTSA (0.35) CTSAKDM4EMAPTMAPK1ATM
Hydrochloric Acid SCHEMBL544185 0.94 KDM4E (0.35) CTSAKDM4EMAPTMAPK1ATM
Hydrochloric Acid SCHEMBL544115 0.91 LPAR1 (0.37) CTSALPAR1PAICS
Hydrochloric Acid SCHEMBL544289 0.90 KDM4E (0.38) CTSAKDM4EMAPTMAPK1ATM
Hydrochloric Acid SCHEMBL544610 0.89 KDM4E (0.37) CTSAKDM4EMAPTMAPK1ATM
Hydrochloric Acid SCHEMBL4038813 0.88 LPAR1 (0.33) CTSAKDM4EMAPTMAPK1ATM
Hydrochloric Acid SCHEMBL544182 0.87 LPAR1 (0.36) CTSALPAR1PAICSPDE5APDE4D
Hydrochloric Acid SCHEMBL544247 0.86 LPAR1 (0.37) KDM4EMAPTMAPK1ATMLPAR1
SCHEMBL2488907 0.86 LPAR1 (0.39) CTSAKDM4EMAPTMAPK1ATM

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-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 claimed
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 claimed
EP-2238110-A1 5.6-BISARYL-2-PYRIDINE-CARBOXAMIDE DERIVATIVES, PREPARATION THEREOF AND THERAPEUTIC APPLICATION THEREOF AS ANTAGONISTS FOR UROTENSINE II RECEPTORS Sanofi-Aventis (FR) 2010-10-13 EP claimed
WO-2009115665-A1 5.6-BISARYL-2-PYRIDINE-CARBOXAMIDE DERIVATIVES, PREPARATION THEREOF AND THERAPEUTIC APPLICATION THEREOF AS ANTAGONISTS FOR UROTENSINE II RECEPTORS SANOFI-AVENTIS (FR) 2009-09-24 WO claimed
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
EP-2238110-A1 5.6-BISARYL-2-PYRIDINE-CARBOXAMIDE DERIVATIVES, PREPARATION THEREOF AND THERAPEUTIC APPLICATION THEREOF AS ANTAGONISTS FOR UROTENSINE II RECEPTORS Sanofi-Aventis (FR) 2010-10-13 EP disclosed
WO-2009115665-A1 5.6-BISARYL-2-PYRIDINE-CARBOXAMIDE DERIVATIVES, PREPARATION THEREOF AND THERAPEUTIC APPLICATION THEREOF AS ANTAGONISTS FOR UROTENSINE II RECEPTORS SANOFI-AVENTIS (FR) 2009-09-24 WO disclosed