SCHEMBL5064335

SCHEMBL5064335

O=[N+]([O-])c1cc(OCCc2cccc(Br)c2)ccc1Sc1ccc(O)cc1

nearest known ligand 0.41

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.41
ALDH1A1 P00352 2/20 0.41
MAOB P27338 4/20 0.41
MAOA P21397 3/20 0.41
SIRT2 Q8IXJ6 1/20 0.39
SMN1; SMN2 Q16637 3/20 0.38
PDE7A Q13946 3/20 0.37
PDE7B Q9NP56 2/20 0.37
FFAR1 O14842 1/20 0.36
FFAR4 Q5NUL3 1/20 0.36
BACE1 P56817 1/20 0.36
HTT P42858 2/20 0.36
MEN1 O00255 1/20 0.36
HPGD P15428 1/20 0.36
KMT2A Q03164 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
GSTP1 P09211 1/20 0.35
GSTM2 P28161 1/20 0.35

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
SCHEMBL4386633 0.89 MAPT (0.46) MAPTALDH1A1MAOBMAOASMN1; SMN2
SCHEMBL811151 0.82 MAPT (0.48) MAPTALDH1A1MAOBMAOASMN1; SMN2
SCHEMBL4973845 0.82 SIRT2 (0.41) MAOBMAOASIRT2FFAR1FFAR4
SCHEMBL811413 0.78 PDE7A (0.48) MAPTALDH1A1MAOBMAOAPDE7A
SCHEMBL5067776 0.78 PDE7A (0.53) MAPTALDH1A1SMN1; SMN2PDE7APDE7B
SCHEMBL4976601 0.77 GPR84 (0.46) MAPTMAOBMAOASIRT2SMN1; SMN2
SCHEMBL2961961 0.77 MAPT (0.51) MAPTALDH1A1MAOBMAOASMN1; SMN2
SCHEMBL810343 0.76 MAPT (0.50) MAPTALDH1A1SMN1; SMN2PDE7APDE7B
SCHEMBL8992675 0.76 FFAR1 (0.52) MAOBMAOASIRT2FFAR1FFAR4
SCHEMBL810228 0.76 HTT (0.44) MAPTALDH1A1SMN1; SMN2PDE7APDE7B

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-1971611-A1 ANTI-VIRAL COMPOUNDS Abbott Laboratories (US) 2008-09-24 EP disclosed
WO-2007081517-A2 ANTI-VIRAL COMPOUNDS ABBOTT LABORATORIES (US) 2007-07-19 WO disclosed