SCHEMBL8521979

SCHEMBL8521979

O=C(CC(F)(F)F)c1cccnc1

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PLOD2 O00469 2/20 0.66
PLOD3 O60568 1/20 0.66
PLOD1 Q02809 1/20 0.66
ALDH1A1 P00352 2/20 0.53
APP P05067 1/20 0.53
GAA P10253 1/20 0.53
HCAR3 P49019 1/20 0.53
HCAR2 Q8TDS4 1/20 0.53
F7 P08709 1/20 0.52
F3 P13726 1/20 0.52
SARM1 Q6SZW1 1/20 0.52
SIRT2 Q8IXJ6 1/20 0.52
SIRT6 Q8N6T7 1/20 0.52
SIRT1 Q96EB6 1/20 0.52
SIRT3 Q9NTG7 1/20 0.52
SIRT5 Q9NXA8 1/20 0.52
SIRT4 Q9Y6E7 1/20 0.52
HDAC1 Q13547 2/20 0.49
HDAC8 Q9BY41 1/20 0.49
THRB P10828 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
SCHEMBL9292457 0.83 PLOD2 (0.65) PLOD2PLOD3PLOD1ALDH1A1APP
SCHEMBL1925385 0.79 PLOD2 (1.00) PLOD2PLOD3PLOD1ALDH1A1APP
SCHEMBL7075878 0.79 PLOD2 (0.69) PLOD2PLOD3PLOD1ALDH1A1APP
SCHEMBL29554726 0.79 PLOD2 (0.89) PLOD2PLOD3PLOD1ALDH1A1APP
SCHEMBL10320930 0.79 PLOD2 (0.89) PLOD2PLOD3PLOD1ALDH1A1APP
SCHEMBL6440012 0.77 PLOD2 (0.67) PLOD2PLOD3PLOD1ALDH1A1APP
Trifluoroacetic Acid SCHEMBL4883046 0.77 PLOD2 (0.63) PLOD2PLOD3PLOD1ALDH1A1APP
SCHEMBL70367 0.77 CES1 (0.56) PLOD2PLOD3PLOD1ALDH1A1GAA
SCHEMBL2424897 0.76 LMNA (0.65) PLOD2PLOD3PLOD1ALDH1A1APP
Niacinamide SCHEMBL5712623 0.76 F7 (0.73) PLOD2PLOD3PLOD1ALDH1A1APP

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-5925795-A Processes for the preparation of aryl-β-diketones, arylpyrimidine ketones and crop protection intermediates ZENECA LIMITED (GB) 1999-07-20 US disclosed
US-5707930-A HERBICIDES, AGRICULTURE ZENECA LIMITED (GB) 1998-01-13 US disclosed