SCHEMBL8545625

SCHEMBL8545625

Cc1c2ccnc(C(=O)O)c2cc2c3cc(O)ccc3n(C)c12

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KIT P10721 1/20 0.42
PDGFRA P16234 1/20 0.42
FGFR3 P22607 1/20 0.42
BCHE P06276 3/20 0.41
ACHE P22303 3/20 0.41
GAA P10253 3/20 0.36
KDM4E B2RXH2 3/20 0.36
HPGD P15428 3/20 0.36
LMNA P02545 2/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
ALDH1A1 P00352 2/20 0.36
GFER P55789 1/20 0.36
EGFR P00533 1/20 0.34
SRC P12931 1/20 0.34
ALOX5 P09917 2/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
TBXAS1 P24557 1/20 0.33
SPR P35270 1/20 0.33
HTT P42858 1/20 0.33

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
SCHEMBL29860013 0.89 KIT (0.41) KITPDGFRAFGFR3BCHEACHE
SCHEMBL27118380 0.89 ACHE (0.39) BCHEACHEKDM4EHPGDLMNA
SCHEMBL8390257 0.87 KIT (0.42) KITPDGFRAFGFR3BCHEACHE
SCHEMBL24277165 0.87 KDM4E (0.39) BCHEACHEKDM4EHPGDSMN1; SMN2
SCHEMBL29445057 0.87 KDM4E (0.39) BCHEACHEKDM4EHPGDSMN1; SMN2
SCHEMBL8545879 0.85 GAA (0.47) KITPDGFRAFGFR3GAAKDM4E
SCHEMBL24276906 0.85 KDM4E (0.44) GAAKDM4EHPGDLMNASMN1; SMN2
SCHEMBL8546738 0.85 BCHE (0.58) BCHEACHEGAAKDM4EHPGD
SCHEMBL29445130 0.85 BCHE (0.58) BCHEACHEGAAKDM4EHPGD
Dimethylamine SCHEMBL8546032 0.84 KIT (0.44) KITPDGFRAFGFR3BCHEACHE

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