SCHEMBL8308061

SCHEMBL8308061

CN(C)c1ccc(-c2nn(-c3ccccc3)c(N)c2C#N)cc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.53
IKBKB O14920 1/20 0.45
CA9 Q16790 1/20 0.44
MAPT P10636 5/20 0.43
ALDH1A1 P00352 4/20 0.43
LMNA P02545 3/20 0.43
HPGD P15428 3/20 0.43
SRC P12931 2/20 0.41
BRAF P15056 2/20 0.41
KDR P35968 2/20 0.41
NPC1 O15118 2/20 0.41
RAB9A P51151 2/20 0.41
MEN1 O00255 1/20 0.41
CRHBP P24387 1/20 0.41
KMT2A Q03164 1/20 0.41
CRHR2 Q13324 1/20 0.41
ADORA1 P30542 3/20 0.40
ADORA2A P29274 2/20 0.40
PIM1 P11309 1/20 0.40
SMN1; SMN2 Q16637 3/20 0.40

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
SCHEMBL8309863 0.86 GAA (0.60) GAAMAPTALDH1A1LMNAHPGD
SCHEMBL8309622 0.85 MAPT (0.57) GAAMAPTALDH1A1LMNAHPGD
SCHEMBL18988429 0.83 ADORA1 (0.56) GAAMAPTALDH1A1LMNAHPGD
SCHEMBL14833516 0.81 BRAF (0.58) GAAMAPTALDH1A1LMNAHPGD
SCHEMBL8915716 0.77 ADORA1 (0.59) GAAMAPTALDH1A1HPGDSRC
SCHEMBL2546236 0.74 GAA (0.68) GAAMAPTALDH1A1LMNAHPGD
SCHEMBL18988497 0.73 MAPT (0.55) GAACA9MAPTALDH1A1LMNA
SCHEMBL11546523 0.73 GAA (0.65) GAAMAPTALDH1A1LMNAHPGD
SCHEMBL8917674 0.72 ALDH1A1 (0.58) GAAIKBKBMAPTALDH1A1LMNA
SCHEMBL8915404 0.72 ALDH1A1 (0.49) GAAMAPTALDH1A1LMNAKMT2A

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