SCHEMBL5595463

SCHEMBL5595463

CCN(CC)Cc1ccc2cccc(O)c2n1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
METAP2 P50579 2/20 0.50
PLAU P00749 1/20 0.46
NCF1 P14598 1/20 0.46
ALDH1A1 P00352 1/20 0.45
CYP1A2 P05177 1/20 0.45
CYP3A4 P08684 1/20 0.45
CYP2C9 P11712 1/20 0.45
HPGD P15428 1/20 0.45
ALOX12 P18054 1/20 0.45
CYP2C19 P33261 1/20 0.45
HIF1A Q16665 1/20 0.45
HSD17B10 Q99714 1/20 0.45
BCHE P06276 3/20 0.44
MAOA P21397 3/20 0.44
ACHE P22303 3/20 0.44
PDE10A Q9Y233 6/20 0.43
PDE4D Q08499 1/20 0.43
KMT2A Q03164 2/20 0.43
MEN1 O00255 1/20 0.43
KDM4E B2RXH2 2/20 0.42

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
SCHEMBL16409130 0.85 BCHE (0.48) METAP2BCHEMAOAACHECHRM1
SCHEMBL3306672 0.84 METAP2 (0.47) METAP2PLAUNCF1ALDH1A1CYP1A2
SCHEMBL18131613 0.83 METAP2 (0.53) METAP2PLAUNCF1ALDH1A1CYP1A2
SCHEMBL13809934 0.82 CCR1 (0.52) ALDH1A1HPGDHSD17B10ACHEPDE10A
SCHEMBL2565924 0.81 BCHE (0.53) METAP2PLAUNCF1ALDH1A1CYP1A2
SCHEMBL1101005 0.81 PARP1 (0.58) METAP2PLAUNCF1ALDH1A1CYP1A2
SCHEMBL8345102 0.79 ALOX12 (0.52) METAP2PLAUNCF1ALDH1A1CYP1A2
SCHEMBL2484187 0.78 METAP2 (0.55) METAP2PLAUNCF1ALDH1A1CYP1A2
SCHEMBL24454431 0.78 KMT2A (0.48) METAP2PLAUNCF1ALDH1A1CYP1A2
SCHEMBL31529406 0.78 KMT2A (0.48) METAP2PLAUNCF1ALDH1A1CYP1A2

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
EP-1189606-B1 NOVEL IRON CHELATORS AND PHARMACEUTICAL COMPOSITIONS COMPRISING IRON CHELATORS FOR THE TREATMENT OF NEURODEGENERATIVE DISORDERS YEDA RES & DEV (IL) 2007-08-15 EP claimed