SCHEMBL2486263

SCHEMBL2486263

Cc1ccccc1-c1ccc(C(=O)N[C@]2(C(=O)O)CC[C@@H](O)CC2)nc1-c1ccc(Cl)c(OCCCN(C)C)c1

nearest known ligand 0.36

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.36
ATM Q13315 3/20 0.36
MAPT P10636 1/20 0.36
MAPK1 P28482 1/20 0.36
PAICS P22234 3/20 0.35
SLC6A9 P48067 1/20 0.34
KDR P35968 1/20 0.34
HTR7 P34969 1/20 0.34
CTSA P10619 5/20 0.33
ALDH1A1 P00352 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
ROCK2 O75116 1/20 0.32
ROCK1 Q13464 1/20 0.32
CNR1 P21554 1/20 0.32

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
SCHEMBL2486264 1.00 KDM4E (0.36) KDM4EATMMAPTMAPK1PAICS
SCHEMBL2486261 1.00 KDM4E (0.36) KDM4EATMMAPTMAPK1PAICS
Hydrochloric Acid SCHEMBL544588 0.99 KDM4E (0.36) KDM4EATMMAPTMAPK1PAICS
Hydrochloric Acid SCHEMBL544586 0.99 KDM4E (0.36) KDM4EATMMAPTMAPK1PAICS
Hydrochloric Acid SCHEMBL544587 0.99 KDM4E (0.36) KDM4EATMMAPTMAPK1PAICS
Hydrochloric Acid SCHEMBL545224 0.97 KDM4E (0.37) KDM4EATMMAPTMAPK1PAICS
Hydrochloric Acid SCHEMBL545177 0.94 KDM4E (0.36) KDM4EATMMAPTMAPK1PAICS
SCHEMBL913823 0.94 ATM (0.34) KDM4EATMMAPTMAPK1PAICS
SCHEMBL913824 0.94 ATM (0.34) KDM4EATMMAPTMAPK1PAICS
SCHEMBL913821 0.94 ATM (0.34) 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-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