SCHEMBL6405337

SCHEMBL6405337

[NH]c1nc(C(F)(F)F)nc2ccccc12

nearest known ligand 0.57

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.57
ALDH1A1 P00352 1/20 0.57
MAPT P10636 1/20 0.57
ADORA2A P29274 1/20 0.57
RAB9A P51151 1/20 0.56
CCNE2 O96020 7/20 0.54
CCNE1 P24864 7/20 0.54
CDK2 P24941 7/20 0.54
CDK4 P11802 5/20 0.54
CCND1 P24385 5/20 0.54
TLR7 Q9NYK1 6/20 0.54
KMT2A Q03164 1/20 0.50
SIRT5 Q9NXA8 1/20 0.50
HPGD P15428 1/20 0.49
SMN1; SMN2 Q16637 1/20 0.49
L3MBTL1 Q9Y468 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
SCHEMBL28057497 0.80 GAA (0.61) GAAALDH1A1MAPTADORA2ARAB9A
SCHEMBL29416441 0.77 GAA (0.57) GAAALDH1A1MAPTADORA2ARAB9A
SCHEMBL31202674 0.77 GAA (0.57) GAAALDH1A1MAPTADORA2ARAB9A
SCHEMBL29500202 0.77 GAA (0.62) GAAALDH1A1MAPTADORA2ARAB9A
SCHEMBL162372 0.77 GAA (0.62) GAAALDH1A1MAPTADORA2ARAB9A
SCHEMBL25282812 0.77 GAA (0.57) GAAALDH1A1MAPTADORA2ARAB9A
SCHEMBL2709303 0.77 GAA (0.57) GAAALDH1A1MAPTADORA2ARAB9A
SCHEMBL3119156 0.77 GAA (0.57) GAAALDH1A1MAPTADORA2ARAB9A
SCHEMBL14016160 0.77 CCNE2 (0.58) GAAALDH1A1MAPTADORA2ARAB9A
SCHEMBL12955994 0.77 GAA (0.53) GAAALDH1A1MAPTADORA2ARAB9A

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
US-20050130251-A1 Reagent for determination of hydrogen peroxide KYOWA MEDEX CO., LTD. (JP) 2005-06-16 US disclosed
EP-1424554-A1 REAGENT FOR DETERMINING HYDROGEN PEROXIDE KYOWA MEDEX CO., LTD. (JP) 2004-06-02 EP disclosed