SCHEMBL8308907

SCHEMBL8308907

N#Cc1c(Sc2ccccc2)nn(-c2ccccc2)c1N

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.56
MAPT P10636 7/20 0.47
ALDH1A1 P00352 6/20 0.47
LMNA P02545 5/20 0.47
HPGD P15428 4/20 0.47
PLA2G1B P04054 1/20 0.42
ATG4B Q9Y4P1 1/20 0.42
SMN1; SMN2 Q16637 4/20 0.41
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
KDM4E B2RXH2 2/20 0.40
TSHR P16473 1/20 0.40
KCNK3 O14649 1/20 0.39
L3MBTL1 Q9Y468 2/20 0.39
TDP1 Q9NUW8 1/20 0.39
USP2 O75604 1/20 0.39
POLB P06746 1/20 0.39
CASP1 P29466 1/20 0.39
CASP7 P55210 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39

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
SCHEMBL574674 0.84 GAA (0.65) GAAMAPTALDH1A1LMNAHPGD
SCHEMBL11546523 0.78 GAA (0.65) GAAMAPTALDH1A1LMNAHPGD
SCHEMBL2546236 0.76 GAA (0.68) GAAMAPTALDH1A1LMNAHPGD
SCHEMBL3994806 0.75 GAA (0.61) GAAMAPTALDH1A1LMNAHPGD
SCHEMBL8309863 0.74 GAA (0.60) GAAMAPTALDH1A1LMNAHPGD
SCHEMBL14833516 0.72 BRAF (0.58) GAAMAPTALDH1A1LMNAHPGD
SCHEMBL10570828 0.72 GAA (0.55) GAAMAPTALDH1A1LMNAHPGD
SCHEMBL2743087 0.72 GAA (0.61) GAAMAPTALDH1A1LMNAHPGD
SCHEMBL12100341 0.72 KDM4E (0.60) GAAMAPTALDH1A1LMNAHPGD
SCHEMBL3615656 0.72 GAA (0.61) GAAMAPTALDH1A1LMNAHPGD

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0745684-B1 Method of quantitative determination of peroxides, a peroxidation-active substance or a pyrazolopyridopyridazine derivative KYOWA MEDEX CO LTD (JP) 1999-08-11 EP disclosed
US-5801008-A Method of quantitative determination of peroxide, a peroxidation-active substance or a pyrazolopyridopyridazine derivative KYOWA MEDEX CO., LTD. (JP) 1998-09-01 US disclosed
EP-0745684-A1 Method of quantitative determination of peroxide, a peroxidation-active substance or a pyrazolopyridopyridazine derivative KYOWA MEDEX CO., LTD. (JP) 1996-12-04 EP disclosed