SCHEMBL9533087

SCHEMBL9533087

COc1ccc(O)c(C2=NN(c3ccc(Cl)c(Cl)c3)C(=O)C2)c1

nearest known ligand 0.57

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MAOB P27338 13/20 0.57
APP P05067 1/20 0.43
KDM4E B2RXH2 2/20 0.42
TDP1 Q9NUW8 2/20 0.42
POLB P06746 1/20 0.42
CASP6 P55212 1/20 0.42
CTDSP1 Q9GZU7 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
GAA P10253 2/20 0.41
KMT2A Q03164 2/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
MAPT P10636 1/20 0.41
MAPK1 P28482 1/20 0.41
MEN1 O00255 1/20 0.41
LMNA P02545 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
RAD51 Q06609 1/20 0.40

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
SCHEMBL9534104 0.90 MAOB (0.58) MAOBAPPKDM4ETDP1GAA
SCHEMBL9537036 0.85 MAOB (0.58) MAOBAPPKDM4ETDP1POLB
SCHEMBL9531614 0.84 MAOB (0.49) MAOBKDM4ETDP1POLBCASP6
SCHEMBL10381797 0.81 MAOB (0.49) MAOBAPPKDM4ETDP1GAA
SCHEMBL9534735 0.81 MAOB (0.63) MAOBKDM4ETDP1POLBCASP6
SCHEMBL9534595 0.77 MAOB (0.59) MAOBAPPTDP1POLBGAA
SCHEMBL10381192 0.75 MAOB (0.59) MAOBKDM4ETDP1GAAKMT2A
SCHEMBL9535278 0.75 MAOB (0.57) MAOBKDM4ETDP1POLBCASP6
SCHEMBL9536346 0.74 MAOB (0.49) MAOBKDM4ETDP1POLBL3MBTL1
SCHEMBL9536258 0.73 MAOB (0.52) MAOBKDM4ETDP1GAAKMT2A

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-0539372-A1 THERAPEUTIC AGENTS The Boots Company PLC (GB) 1993-05-05 EP disclosed
WO-1991011448-A1 THERAPEUTIC AGENTS THE BOOTS COMPANY PLC (GB) 1991-08-08 WO disclosed