SCHEMBL6274820

SCHEMBL6274820

O=C(O)c1cccc2nnn(O)c12.O=C(O)c1cccc2nnn(O)c12

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.45
POLB P06746 1/20 0.44
MAPK1 P28482 1/20 0.44
ATM Q13315 1/20 0.44
ALDH1A1 P00352 2/20 0.43
DHODH Q02127 2/20 0.43
ALOX15 P16050 1/20 0.40
KCNMA1 Q12791 1/20 0.37
RAB9A P51151 1/20 0.37
LMNA P02545 1/20 0.37
MAPT P10636 1/20 0.37
MGAM O43451 1/20 0.37
F2 P00734 1/20 0.37
AMY1A P0DUB6 1/20 0.37
GAA P10253 1/20 0.37
SI P14410 1/20 0.37
HPGD P15428 1/20 0.37
SLC9A1 P19634 1/20 0.37
KMT2A Q03164 1/20 0.37
MGAM2 Q2M2H8 1/20 0.37

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
SCHEMBL5921930 1.00 KDM4E (0.45) KDM4EPOLBMAPK1ATMALDH1A1
SCHEMBL2013447 0.81 DHODH (0.49) KDM4EALDH1A1DHODHALOX15KCNMA1
SCHEMBL5921943 0.75 KDM4E (0.41) KDM4EPOLBMAPK1ATMALDH1A1
SCHEMBL28450969 0.74 GRM2 (0.54) KDM4EALDH1A1MGAMAMY1AGAA
SCHEMBL2149335 0.73 POLB (0.50) KDM4EPOLBMAPK1ATMALDH1A1
SCHEMBL12900276 0.72 TDP1 (0.55) RAB9AMGAMAMY1AGAASI
SCHEMBL28453582 0.72 RAB9A (0.56) KDM4EPOLBMAPK1DHODHRAB9A
SCHEMBL13730894 0.72 KDM4E (0.49) KDM4EPOLBMAPK1ATMALDH1A1
SCHEMBL28390322 0.72 KDM4E (0.49) KDM4EPOLBMAPK1ATMALDH1A1
SCHEMBL3282387 0.72 KDM4E (0.49) KDM4EPOLBMAPK1ATMRAB9A

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-1606447-A1 OXIDATION SYSTEM CONTAINING A MACROCYCLIC METAL COMPLEX, THE PRODUCTION THEREOF AND ITS USE Lanxess B.V. (NL) 2005-12-21 EP disclosed
WO-2004083516-A1 OXIDATION SYSTEM CONTAINING A MACROCYCLIC METAL COMPLEX, THE PRODUCTION THEREOF AND ITS USE LANXESS B.V. (NL) 2004-09-30 WO disclosed