SCHEMBL11020243

SCHEMBL11020243

NC(CO)C(=O)c1cccnc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
F7 P08709 1/20 0.55
F3 P13726 1/20 0.55
SARM1 Q6SZW1 1/20 0.55
SIRT2 Q8IXJ6 1/20 0.55
SIRT6 Q8N6T7 1/20 0.55
SIRT1 Q96EB6 1/20 0.55
SIRT3 Q9NTG7 1/20 0.55
SIRT5 Q9NXA8 1/20 0.55
SIRT4 Q9Y6E7 1/20 0.55
ALDH1A1 P00352 2/20 0.52
APP P05067 1/20 0.52
GAA P10253 1/20 0.52
HCAR3 P49019 1/20 0.52
HCAR2 Q8TDS4 1/20 0.52
THRB P10828 1/20 0.51
PLOD2 O00469 2/20 0.49
HDAC1 Q13547 2/20 0.47
HDAC6 Q9UBN7 1/20 0.47
PLOD3 O60568 1/20 0.44
PLOD1 Q02809 1/20 0.44

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
SCHEMBL27543818 0.85 F7 (0.53) F7F3SARM1SIRT2SIRT6
SCHEMBL27601968 0.85 F7 (0.53) F7F3SARM1SIRT2SIRT6
Hydrochloric Acid SCHEMBL2821000 0.83 F7 (0.51) F7F3SARM1SIRT2SIRT6
SCHEMBL27576449 0.83 ALDH1A1 (0.53) F7F3SARM1SIRT2SIRT6
Niacin SCHEMBL10620476 0.82 ALDH1A1 (0.66) F7F3SARM1SIRT2SIRT6
SCHEMBL27780057 0.82 F7 (0.62) F7F3SARM1SIRT2SIRT6
SCHEMBL27951597 0.81 TBXAS1 (0.50) F7F3SARM1SIRT2SIRT6
SCHEMBL28659975 0.80 F7 (0.60) F7F3SARM1SIRT2SIRT6
SCHEMBL10620479 0.80 ALDH1A1 (0.51) F7F3SARM1SIRT2SIRT6
SCHEMBL717650 0.80 GRM8 (0.49) F7F3SARM1SIRT2SIRT6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0161422-A1 Alkanolamine derivatives and platelet aggregation inhibitors containing the same as an active ingredient TERUMO KABUSHIKI KAISHA trading as TERUMO CORPORATION (JP) 1985-11-21 EP disclosed