SCHEMBL8717841

SCHEMBL8717841

CCOC(=O)c1ccc(N)cc1N.COC(=O)c1ccc(N)cc1N

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 7/20 0.57
ALDH1A1 P00352 6/20 0.57
HSD17B10 Q99714 5/20 0.57
KDM4E B2RXH2 5/20 0.57
MAPT P10636 4/20 0.57
HPGD P15428 2/20 0.57
GLA P06280 2/20 0.57
CASP1 P29466 1/20 0.57
CASP7 P55210 1/20 0.57
ATM Q13315 1/20 0.57
ABL1 P00519 1/20 0.55
LMNA P02545 2/20 0.51
MAOA P21397 2/20 0.51
CYP1A2 P05177 1/20 0.51
CYP3A4 P08684 1/20 0.51
CFTR P13569 2/20 0.51
ALOX15 P16050 2/20 0.49
MEN1 O00255 1/20 0.49
NPC1 O15118 1/20 0.49
RAB9A P51151 1/20 0.49

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
SCHEMBL29375324 0.94 ALDH1A1 (0.64) GAAALDH1A1HSD17B10KDM4EMAPT
SCHEMBL2132644 0.94 ALDH1A1 (0.64) GAAALDH1A1HSD17B10KDM4EMAPT
SCHEMBL29400478 0.88 GAA (0.70) GAAALDH1A1HSD17B10KDM4EMAPT
SCHEMBL2926607 0.88 GAA (0.70) GAAALDH1A1HSD17B10KDM4EMAPT
SCHEMBL29649164 0.88 ALDH1A1 (0.57) GAAALDH1A1HSD17B10KDM4EMAPT
SCHEMBL2888716 0.82 TSHR (0.60) GAAALDH1A1HSD17B10KDM4EMAPT
SCHEMBL29664646 0.81 ALDH1A1 (0.56) GAAALDH1A1HSD17B10KDM4EMAPT
SCHEMBL2133553 0.81 ALDH1A1 (0.56) GAAALDH1A1HSD17B10KDM4EMAPT
SCHEMBL11581128 0.80 ALDH1A1 (0.64) GAAALDH1A1HSD17B10KDM4EMAPT
SCHEMBL3687067 0.80 ALDH1A1 (0.64) GAAALDH1A1HSD17B10KDM4EMAPT

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