SCHEMBL8545879

SCHEMBL8545879

CCOC(=O)c1nccc2c(C)c3c(cc12)c1cc(O)ccc1n3C

nearest known ligand 0.47

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
GAA P10253 4/20 0.47
LMNA P02545 2/20 0.47
KDM4E B2RXH2 1/20 0.47
ALDH1A1 P00352 1/20 0.47
HPGD P15428 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
ELANE P08246 1/20 0.44
ALOX5 P09917 11/20 0.43
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
KIT P10721 1/20 0.43
PDGFRA P16234 1/20 0.43
FGFR3 P22607 1/20 0.43
ALOX15 P16050 1/20 0.42
TSHR P16473 1/20 0.42
HSD17B10 Q99714 1/20 0.42
MAPK1 P28482 1/20 0.40

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
SCHEMBL8390257 0.89 KIT (0.42) GAALMNAKDM4EALDH1A1HPGD
SCHEMBL8548702 0.88 LMNA (0.45) GAALMNAKDM4EALDH1A1HPGD
SCHEMBL29445183 0.88 BCHE (0.54) KDM4EALDH1A1HPGDSMN1; SMN2ELANE
SCHEMBL9089933 0.88 BCHE (0.54) KDM4EALDH1A1HPGDSMN1; SMN2ELANE
SCHEMBL8545625 0.85 KIT (0.42) GAALMNAKDM4EALDH1A1HPGD
SCHEMBL29860013 0.84 KIT (0.41) GAALMNAKDM4EALDH1A1HPGD
SCHEMBL7840124 0.83 GABRA1 (0.41) GAALMNAKDM4EALDH1A1HPGD
Dimethylamine SCHEMBL8546032 0.83 KIT (0.44) GAALMNAKDM4EALDH1A1HPGD
Dimethylamine SCHEMBL7640258 0.82 KIT (0.43) GAALMNAKDM4EALDH1A1HPGD
SCHEMBL7830488 0.82 GABRA1 (0.42) GAALMNAKDM4EALDH1A1HPGD

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-0591058-B1 Ellipticine derivatives with antitumor activity ADIR (FR) 1998-06-03 EP disclosed
US-5498611-A ANTITUMOR AGENTS ADIR ET COMPAGNIE (FR) 1996-03-12 US disclosed
US-5407940-A Antitumor agents ADIR ET COMPAGNIE (FR) 1995-04-18 US disclosed
EP-0591058-A1 Ellipticine derivatives with antitumor activity ADIR ET COMPAGNIE (FR) 1994-04-06 EP disclosed