SCHEMBL8288267

SCHEMBL8288267

Cc1cccc(COc2cccc([N+](=O)[O-])c2)n1

nearest known ligand 0.61

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
GRM5 P41594 1/20 0.61
LMNA P02545 3/20 0.60
MAPT P10636 3/20 0.60
PKM P14618 1/20 0.60
RAB9A P51151 1/20 0.60
SMN1; SMN2 Q16637 2/20 0.56
RXFP1 Q9HBX9 1/20 0.56
CHRNB2 P17787 1/20 0.52
CHRNA4 P43681 1/20 0.52
MEN1 O00255 2/20 0.49
KMT2A Q03164 2/20 0.49
MAOB P27338 1/20 0.49
PTGS2 P35354 1/20 0.48
HPGD P15428 1/20 0.46
CHRNB4 P30926 1/20 0.45
CHRNA3 P32297 1/20 0.45

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
SCHEMBL5779338 0.86 LMNA (0.56) GRM5LMNAMAPTPKMRAB9A
SCHEMBL6068789 0.82 LMNA (0.53) GRM5LMNAMAPTPKMRAB9A
SCHEMBL14988594 0.81 TLR4 (0.63) LMNAMAPTPKMRAB9ASMN1; SMN2
SCHEMBL9721944 0.81 LMNA (0.56) GRM5LMNAMAPTPKMRAB9A
SCHEMBL1015664 0.80 MAPT (0.53) LMNAMAPTRAB9ASMN1; SMN2MEN1
SCHEMBL5779125 0.79 CYSLTR1 (0.62) LMNAMAPTSMN1; SMN2RXFP1
SCHEMBL9795659 0.76 MAOB (0.62) MAPTRAB9ACHRNB2CHRNA4MEN1
SCHEMBL8170687 0.76 MAPT (0.51) GRM5LMNAMAPTPKMRAB9A
SCHEMBL28057927 0.76 MAPT (0.53) GRM5LMNAMAPTPKMRAB9A
SCHEMBL8288269 0.76 MAOB (0.56) LMNAMAPTRAB9ASMN1; SMN2MEN1

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
WO-2005044265-A1 ALKYNES III ASTRAZENECA AB (SE) 2005-05-19 WO disclosed