SCHEMBL8548801

SCHEMBL8548801

COc1ccc2[nH]c3c(C)c4ccnc(C(=O)O)c4cc3c2c1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KIT P10721 2/20 0.54
KDM4E B2RXH2 6/20 0.54
MEN1 O00255 4/20 0.54
KMT2A Q03164 4/20 0.54
MAPT P10636 3/20 0.54
RAB9A P51151 2/20 0.54
POLB P06746 2/20 0.54
TLR3 O15455 1/20 0.54
NR3C1 P04150 1/20 0.54
PKM P14618 1/20 0.54
RECQL P46063 1/20 0.54
NPSR1 Q6W5P4 1/20 0.54
BCHE P06276 3/20 0.53
ACHE P22303 3/20 0.52
DYRK1A Q13627 2/20 0.52
ALDH1A1 P00352 5/20 0.48
HPGD P15428 3/20 0.48
NPC1 O15118 1/20 0.48
STING1 Q86WV6 1/20 0.46
PTGS1 P23219 1/20 0.46

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
SCHEMBL9090021 0.87 KDM4E (0.58) KITKDM4EMEN1KMT2AMAPT
SCHEMBL29445100 0.87 KDM4E (0.58) KITKDM4EMEN1KMT2AMAPT
SCHEMBL24276997 0.84 KIT (0.57) KITKDM4EMEN1KMT2AMAPT
SCHEMBL24277001 0.84 KIT (0.57) KITKDM4EMEN1KMT2AMAPT
SCHEMBL24277000 0.84 KIT (0.54) KITKDM4EMEN1KMT2AMAPT
Dimethylamine SCHEMBL8547837 0.84 KIT (0.54) KITKDM4EMEN1KMT2AMAPT
SCHEMBL24277005 0.83 KIT (0.54) KITKDM4EMEN1KMT2AMAPT
SCHEMBL9679552 0.83 KIT (0.55) KITKDM4EMEN1KMT2AMAPT
SCHEMBL612838 0.82 KIT (0.59) KITKDM4EMEN1KMT2AMAPT
SCHEMBL8547833 0.82 KIT (0.51) KITKDM4EMEN1KMT2AMAPT

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-0591058-B1 Ellipticine derivatives with antitumor activity ADIR (FR) 1998-06-03 EP disclosed
EP-0591058-A1 Ellipticine derivatives with antitumor activity ADIR ET COMPAGNIE (FR) 1994-04-06 EP disclosed