SCHEMBL3637672

SCHEMBL3637672

CC(=Cc1cccc(OCOCc2ccccc2)c1)[N+](=O)[O-]

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FBP1 P09467 1/20 0.52
MAOB P27338 7/20 0.52
MAOA P21397 6/20 0.52
TLR4 O00206 5/20 0.52
TLR2 O60603 5/20 0.52
ALDH1A1 P00352 2/20 0.45
KDM4E B2RXH2 1/20 0.45
PKM P14618 1/20 0.45
LCK P06239 1/20 0.45
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44
MAPK1 P28482 2/20 0.43
S1PR4 O95977 1/20 0.43
LMNA P02545 1/20 0.43
MAPT P10636 1/20 0.43
HPGD P15428 1/20 0.43
S1PR1 P21453 1/20 0.43
RAB9A P51151 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43

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
SCHEMBL2748716 0.90 MAOB (0.63) FBP1MAOBMAOATLR4TLR2
SCHEMBL2748717 0.90 MAOB (0.63) FBP1MAOBMAOATLR4TLR2
SCHEMBL2748715 0.90 MAOB (0.63) FBP1MAOBMAOATLR4TLR2
SCHEMBL5720900 0.80 TLR4 (0.81) FBP1MAOBMAOATLR4TLR2
SCHEMBL5720904 0.80 TLR4 (0.81) FBP1MAOBMAOATLR4TLR2
SCHEMBL2747523 0.79 FBP1 (0.62) FBP1MAOBMAOATLR4TLR2
SCHEMBL2747521 0.79 FBP1 (0.62) FBP1MAOBMAOATLR4TLR2
SCHEMBL2747524 0.79 FBP1 (0.62) FBP1MAOBMAOATLR4TLR2
SCHEMBL8625071 0.79 FBP1 (0.66) FBP1TLR4TLR2ALDH1A1KDM4E
SCHEMBL8625069 0.79 FBP1 (0.66) FBP1TLR4TLR2ALDH1A1KDM4E

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-2155192-A2 TETRAHYDROISOQUINOLINES AS TUMOUR GROWTH INHIBITORS Sterix Limited (GB) 2010-02-24 EP disclosed
WO-2008117061-A2 TETRAHYDROISOQUINOLINES AS TUMOUR GROWTH INHIBITORS STERIX LIMITED (GB) 2008-10-02 WO disclosed