SCHEMBL8548702

SCHEMBL8548702

CCOC(=O)c1nccc2c(C)c3c(cc12)c1cc(O)ccc1n3CC

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 6/20 0.45
MAPT P10636 5/20 0.45
SMN1; SMN2 Q16637 4/20 0.45
MEN1 O00255 3/20 0.45
KMT2A Q03164 3/20 0.45
MAPK1 P28482 3/20 0.45
TSHR P16473 2/20 0.45
HSD17B10 Q99714 2/20 0.45
GAA P10253 6/20 0.43
ELANE P08246 1/20 0.43
PKM P14618 3/20 0.43
KDM4E B2RXH2 3/20 0.43
ALDH1A1 P00352 4/20 0.42
HPGD P15428 3/20 0.42
ALOX15 P16050 2/20 0.42
POLB P06746 1/20 0.42
ALOX12 P18054 1/20 0.42
RECQL P46063 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
GABRP O00591 1/20 0.38

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
SCHEMBL8545879 0.88 GAA (0.47) LMNASMN1; SMN2MEN1KMT2AMAPK1
SCHEMBL8550668 0.88 DYRK1A (0.47) LMNAMAPTSMN1; SMN2MEN1KMT2A
SCHEMBL8549461 0.80 PTGER4 (0.39) GAAPOLB
SCHEMBL8390257 0.78 KIT (0.42) LMNAMAPTSMN1; SMN2MEN1KMT2A
SCHEMBL9089933 0.76 BCHE (0.54) MAPTSMN1; SMN2TSHRHSD17B10ELANE
SCHEMBL29445183 0.76 BCHE (0.54) MAPTSMN1; SMN2TSHRHSD17B10ELANE
SCHEMBL8545625 0.73 KIT (0.42) LMNAMAPTSMN1; SMN2MEN1KMT2A
SCHEMBL7840124 0.73 GABRA1 (0.41) LMNAMAPTSMN1; SMN2MEN1KMT2A
SCHEMBL29860013 0.73 KIT (0.41) LMNASMN1; SMN2MEN1KMT2AGAA
Dimethylamine SCHEMBL8546032 0.72 KIT (0.44) LMNAMAPTSMN1; SMN2MEN1KMT2A

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