SCHEMBL3354928

SCHEMBL3354928

O=[N+]([O-])c1ccc2cn(C3CCNCC3)nc2c1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.53
RAB9A P51151 5/20 0.49
NPC1 O15118 4/20 0.49
MEN1 O00255 3/20 0.49
KMT2A Q03164 3/20 0.49
SMN1; SMN2 Q16637 3/20 0.49
LMNA P02545 3/20 0.49
NFKB1 P19838 1/20 0.47
CASP3 P42574 1/20 0.47
NFKB2 Q00653 1/20 0.47
RELA Q04206 1/20 0.47
SENP8 Q96LD8 1/20 0.47
SENP7 Q9BQF6 1/20 0.47
SENP6 Q9GZR1 1/20 0.47
TLR8 Q9NR97 2/20 0.46
ALDH1A1 P00352 3/20 0.46
HTR3E A5X5Y0 1/20 0.46
HTR3B O95264 1/20 0.46
CYP1A2 P05177 1/20 0.46
CYP3A4 P08684 1/20 0.46

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
SCHEMBL3358873 0.84 MAPT (0.59) MAPTRAB9ANPC1MEN1KMT2A
SCHEMBL25256131 0.81 TLR8 (0.46) MAPTTLR8TLR4TLR9TLR7
SCHEMBL3354814 0.81 MAPT (0.52) MAPTRAB9ANPC1MEN1KMT2A
SCHEMBL3357865 0.81 MAPT (0.52) MAPTRAB9ANPC1MEN1KMT2A
SCHEMBL15910847 0.77 MAPT (0.43) MAPTRAB9ANPC1MEN1KMT2A
SCHEMBL3352407 0.77 MAPT (0.50) MAPTRAB9ANPC1MEN1KMT2A
SCHEMBL29082025 0.77 TLR8 (0.48) TLR8TLR4TLR9TLR7IRAK4
SCHEMBL13537310 0.76 TLR8 (0.48) TLR8TLR4TLR9TLR7IRAK4
SCHEMBL30291044 0.75 TLR8 (0.43) TLR8TLR4TLR9TLR7IRAK4
SCHEMBL20809468 0.73 TLR8 (0.52) MEN1KMT2ATLR8ALDH1A1HTR3E

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-2141163-A1 Substituted thiazolidinones, their production and utilisation as medicine Bayer Schering Pharma AG (DE) 2010-01-06 EP disclosed