SCHEMBL8715898

SCHEMBL8715898

CC(C)OC(=O)c1ccc(N)c(N)c1.COC(=O)c1cc(N)cc(N)c1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 8/20 0.51
KDM4E B2RXH2 7/20 0.51
ALDH1A1 P00352 6/20 0.51
HPGD P15428 6/20 0.51
GAA P10253 3/20 0.51
HSD17B10 Q99714 2/20 0.51
GLA P06280 1/20 0.51
CASP1 P29466 1/20 0.51
CASP7 P55210 1/20 0.51
ATM Q13315 1/20 0.51
USP2 O75604 1/20 0.48
CA12 O43570 4/20 0.48
CA1 P00915 4/20 0.48
CA2 P00918 4/20 0.48
CA7 P43166 4/20 0.48
CA9 Q16790 4/20 0.48
CA14 Q9ULX7 4/20 0.48
NPC1 O15118 5/20 0.43
RAB9A P51151 5/20 0.43
NPSR1 Q6W5P4 2/20 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
SCHEMBL2928248 0.87 CA12 (0.61) MAPTKDM4EALDH1A1HPGDGAA
SCHEMBL867390 0.82 CA12 (0.62) MAPTALDH1A1HPGDCA12CA1
SCHEMBL192100 0.82 KDM4E (0.72) MAPTKDM4EALDH1A1HPGDGAA
SCHEMBL29375113 0.82 KDM4E (0.72) MAPTKDM4EALDH1A1HPGDGAA
Ammonia Solution, Strong SCHEMBL5311634 0.80 KDM4E (0.70) MAPTKDM4EALDH1A1HPGDGAA
Hydrochloric Acid SCHEMBL7251305 0.80 KDM4E (0.70) MAPTKDM4EALDH1A1HPGDGAA
Hydrochloric Acid SCHEMBL1223871 0.80 KDM4E (0.70) MAPTKDM4EALDH1A1HPGDGAA
SCHEMBL8588666 0.78 CA12 (0.62) MAPTKDM4EALDH1A1HPGDHSD17B10
SCHEMBL8718696 0.77 LMNA (0.53) ALDH1A1GAAHSD17B10CA12CA1
SCHEMBL8718220 0.77 MAPT (0.43) MAPTKDM4EALDH1A1HPGDGAA

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-0873444-A1 ENZYMATIC METHOD FOR TEXTILE DYEING Novo Nordisk Biochem North America (US) 1998-10-28 EP disclosed
WO-1997023685-A1 ENZYMATIC METHOD FOR TEXTILE DYEING NOVO NORDISK BIOCHEM NORTH AMERICA, INC. (US) 1997-07-03 WO disclosed