SCHEMBL15501223

SCHEMBL15501223

CN(O)CCCCSc1nc2ccccc2o1

nearest known ligand 0.59

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
DDAH1 O94760 1/20 0.57
ADRA2C P18825 1/20 0.57
ALDH1A1 P00352 3/20 0.54
HPGD P15428 2/20 0.54
TDP1 Q9NUW8 2/20 0.54
MAPK1 P28482 2/20 0.52
GAA P10253 1/20 0.52
TSHR P16473 1/20 0.52
HSD17B10 Q99714 1/20 0.52
L3MBTL1 Q9Y468 1/20 0.51
SMN1; SMN2 Q16637 2/20 0.51
KMT2A Q03164 2/20 0.50
MEN1 O00255 1/20 0.50
MAPT P10636 1/20 0.50
SOAT1 P35610 1/20 0.50
RAB9A P51151 1/20 0.50

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
SCHEMBL11345934 0.81 DDAH1 (0.65) DDAH1ADRA2CALDH1A1HPGDTDP1
SCHEMBL11779882 0.80 DDAH1 (0.63) DDAH1ADRA2CALDH1A1HPGDTDP1
SCHEMBL29751905 0.80 DDAH1 (0.67) DDAH1ADRA2CALDH1A1HPGDTDP1
SCHEMBL423424 0.80 DDAH1 (0.67) DDAH1ADRA2CALDH1A1HPGDTDP1
SCHEMBL2149775 0.79 DDAH1 (0.65) DDAH1ADRA2CALDH1A1HPGDTDP1
SCHEMBL5989120 0.77 DDAH1 (0.77) DDAH1ADRA2CALDH1A1HPGDTDP1
SCHEMBL10731286 0.77 DDAH1 (0.82) DDAH1ADRA2CALDH1A1HPGDTDP1
SCHEMBL8413019 0.77 DDAH1 (0.67) DDAH1ADRA2CALDH1A1HPGDTDP1
SCHEMBL9534339 0.77 DDAH1 (0.67) DDAH1ADRA2CALDH1A1HPGDTDP1
SCHEMBL3028888 0.77 DDAH1 (0.67) DDAH1ADRA2CALDH1A1HPGDTDP1

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-2163949-B1 Developer for lithographic printing plate precursor and process for producing lithographic printing plate FUJIFILM CORP (JP) 2014-03-12 EP disclosed