SCHEMBL2490995

SCHEMBL2490995

Cc1ccc(-c2ccc(C(=O)N[C@]3(C(=O)O)CC[C@@H](O)CC3)nc2-c2ccc(Cl)c(OCCCN(C)C)c2)c(C)c1

nearest known ligand 0.36

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.36
ATM Q13315 2/20 0.36
MAPT P10636 1/20 0.36
MAPK1 P28482 1/20 0.36
CTSA P10619 6/20 0.35
PAICS P22234 3/20 0.35
ALDH1A1 P00352 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
LPAR1 Q92633 1/20 0.33
KDR P35968 1/20 0.33
UTS2R Q9UKP6 1/20 0.32
GAA P10253 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
HSP90AB1 P08238 1/20 0.32
HTR7 P34969 1/20 0.31

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
SCHEMBL2490991 1.00 KDM4E (0.36) KDM4EATMMAPTMAPK1CTSA
SCHEMBL2490997 1.00 KDM4E (0.36) KDM4EATMMAPTMAPK1CTSA
Hydrochloric Acid SCHEMBL544462 0.99 KDM4E (0.36) KDM4EATMMAPTMAPK1CTSA
SCHEMBL914403 0.94 CTSA (0.35) KDM4EATMMAPTMAPK1CTSA
SCHEMBL914407 0.94 CTSA (0.35) KDM4EATMMAPTMAPK1CTSA
SCHEMBL914405 0.94 CTSA (0.35) KDM4EATMMAPTMAPK1CTSA
Hydrochloric Acid SCHEMBL544075 0.94 KDM4E (0.37) KDM4EATMMAPTMAPK1CTSA
Hydrochloric Acid SCHEMBL545050 0.94 KDM4E (0.36) KDM4EATMMAPTMAPK1CTSA
Hydrochloric Acid SCHEMBL544864 0.94 KDM4E (0.37) KDM4EATMMAPTMAPK1CTSA
Hydrochloric Acid SCHEMBL545060 0.93 CTSA (0.34) KDM4EATMMAPTMAPK1CTSA

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