SCHEMBL2630610

SCHEMBL2630610

C=Cc1cc2ccccc2nc1CCC

nearest known ligand 0.46

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TLR8 Q9NR97 11/20 0.46
ALDH1A1 P00352 5/20 0.43
GAA P10253 4/20 0.43
HPGD P15428 2/20 0.39
GLA P06280 1/20 0.39
MAPT P10636 1/20 0.39
ACHE P22303 1/20 0.39
KDM4E B2RXH2 3/20 0.39
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
LCK P06239 1/20 0.39
ATM Q13315 1/20 0.37
PDE4A P27815 1/20 0.37
PDE4B Q07343 1/20 0.37
PDE4C Q08493 1/20 0.37
PDE4D Q08499 1/20 0.37
PDE10A Q9Y233 1/20 0.36

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
Hydrochloric Acid SCHEMBL28823670 0.76 ALDH1A1 (0.41) ALDH1A1GAAHPGDGLAMAPT
SCHEMBL19260213 0.76 TDP1 (0.52) TLR8ALDH1A1GAAHPGDGLA
SCHEMBL28609423 0.76 TLR8 (0.54) TLR8ALDH1A1GAAHPGDGLA
Ammonia Solution, Strong SCHEMBL9131397 0.75 TLR8 (0.53) TLR8ALDH1A1GAAHPGDGLA
SCHEMBL1325871 0.74 ALDH1A1 (0.54) TLR8ALDH1A1GAAHPGDMAPT
SCHEMBL23970889 0.73 TLR8 (0.44) TLR8ALDH1A1GAAHPGDGLA
SCHEMBL28298753 0.73 ALDH1A1 (0.52) TLR8ALDH1A1GAAHPGDMAPT
SCHEMBL31677449 0.73 GPR84 (0.38) TLR8ALDH1A1GAAHPGDMAPT
SCHEMBL943245 0.73 GPR84 (0.38) TLR8ALDH1A1GAAHPGDMAPT
SCHEMBL27851831 0.72 KDM4E (0.54) ALDH1A1GAAHPGDMAPTKDM4E

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-1249731-B1 Photosensitive composition and negative working lithographic printing plate FUJIFILM CORP (JP) 2012-04-25 EP disclosed