SCHEMBL5573647

SCHEMBL5573647

C[Ga].O=c1ccoc(O)c1

nearest known ligand 0.39

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.39
MAPK1 P28482 1/20 0.39
LMNA P02545 1/20 0.39
FTO Q9C0B1 1/20 0.34
APP P05067 3/20 0.32
ALDH1A1 P00352 1/20 0.32
CYP3A4 P08684 1/20 0.32
MAPT P10636 1/20 0.32
CYP2A6 P11509 1/20 0.32
HPGD P15428 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
NQO1 P15559 1/20 0.31
POR P16435 1/20 0.31
ALOX5 P09917 1/20 0.30

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
SCHEMBL1187892 0.93
SCHEMBL9812791 0.91 KDM4E (0.39) KDM4EMAPK1LMNAFTOAPP
SCHEMBL10810437 0.91 KDM4E (0.39) KDM4EMAPK1LMNAFTOAPP
SCHEMBL9812785 0.91
SCHEMBL7796741 0.91
SCHEMBL9812784 0.87 KDM4E (0.36) KDM4EMAPK1LMNAFTOAPP
SCHEMBL10808734 0.85 KDM4E (0.35) KDM4EMAPK1LMNAFTO
SCHEMBL2405291 0.69
SCHEMBL13629841 0.67 ALDH1A1 (0.38) KDM4EMAPK1LMNAALDH1A1MAPT
SCHEMBL546936 0.64 PTPN1 (0.39) KDM4EALDH1A1L3MBTL1

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070231407-A1 Method of treating gallium-nitrate resistant tumors using gallium-containing compounds NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2007-10-04 US disclosed