SCHEMBL13616978

SCHEMBL13616978

CCc1ccc(/C=C2\Oc3ccc(I)cc3C2=O)cc1

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.65
RAB9A P51151 3/20 0.65
SMN1; SMN2 Q16637 3/20 0.65
STK17B O94768 10/20 0.61
KDM4E B2RXH2 2/20 0.56
LMNA P02545 2/20 0.56
HTT P42858 1/20 0.56
BCHE P06276 1/20 0.50
ACHE P22303 1/20 0.50
ELANE P08246 1/20 0.50
MEN1 O00255 1/20 0.49
POLB P06746 1/20 0.49
KMT2A Q03164 1/20 0.49
MCL1 Q07820 1/20 0.49
NPC1 O15118 1/20 0.49
APP P05067 1/20 0.49
MAPK1 P28482 1/20 0.47
AURKA O14965 1/20 0.44
DAPK3 O43293 1/20 0.44
GSK3B P49841 1/20 0.44

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
SCHEMBL3040167 0.82 STK17B (0.65) MAPTRAB9ASTK17BKDM4EELANE
SCHEMBL3040165 0.82 STK17B (0.65) MAPTRAB9ASTK17BKDM4EELANE
SCHEMBL12886570 0.82 STK17B (0.56) MAPTRAB9ASMN1; SMN2STK17BACHE
SCHEMBL13617110 0.82 MAOB (0.67) MAPTRAB9ASTK17BKDM4EACHE
SCHEMBL19462864 0.81 ELANE (0.74) MAPTRAB9ASMN1; SMN2STK17BKDM4E
SCHEMBL3045002 0.77 STK17B (0.59) MAPTSTK17BKDM4EACHEMEN1
SCHEMBL3045006 0.77 STK17B (0.59) MAPTSTK17BKDM4EACHEMEN1
SCHEMBL5707799 0.76 MAOB (0.77) MAPTRAB9ASMN1; SMN2STK17BKDM4E
SCHEMBL3042357 0.73 STK17B (0.55) MAPTSTK17BKDM4EACHEMEN1
SCHEMBL3042360 0.73 STK17B (0.55) MAPTSTK17BKDM4EACHEMEN1

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-2113258-A1 AURONE DERIVATIVE-CONTAINING COMPOSITION FOR DIAGNOSIS Nagasaki University (JP) 2009-11-04 EP disclosed