Niacinamide

Niacinamide

SCHEMBL10685138

NC(=O)c1cccnc1.NCCNc1ncnc2[nH]cnc12

nearest known ligand 0.48

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Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ F7 P08709 1/20 0.48
▸ F3 P13726 1/20 0.48
▸ SARM1 Q6SZW1 1/20 0.48
▸ SIRT2 Q8IXJ6 1/20 0.48
▸ SIRT6 Q8N6T7 1/20 0.48
▸ SIRT1 Q96EB6 1/20 0.48
▸ SIRT3 Q9NTG7 1/20 0.48
▸ SIRT5 Q9NXA8 1/20 0.48
▸ SIRT4 Q9Y6E7 1/20 0.48
▸ CHEK1 O14757 2/20 0.41
▸ CHEK2 O96017 2/20 0.41
▸ RPS6KB1 P23443 4/20 0.38
▸ AURKA O14965 3/20 0.38
▸ AURKB Q96GD4 2/20 0.38
▸ PIM1 P11309 2/20 0.38
▸ PIM3 Q86V86 1/20 0.38
▸ PIM2 Q9P1W9 1/20 0.38
▸ MKNK1 Q9BUB5 2/20 0.36
▸ PLOD2 O00469 1/20 0.36
▸ EGFR P00533 1/20 0.35

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
Niacinamide SCHEMBL10685143 0.85 MKNK1 (0.52) F7F3SARM1SIRT2SIRT6
Adenine SCHEMBL15699 0.80 F7 (0.56) F7F3SARM1SIRT2SIRT6
Adenine SCHEMBL22748483 0.80 F7 (0.56) F7F3SARM1SIRT2SIRT6
Adenine SCHEMBL2564207 0.80 F7 (0.56) F7F3SARM1SIRT2SIRT6
SCHEMBL21379799 0.80 HTT (0.42) PIM1PIM3PIM2THRBHDAC1
Adenine SCHEMBL23531099 0.79 F7 (0.55) F7F3SARM1SIRT2SIRT6
Adenine SCHEMBL22129922 0.79 F7 (0.55) F7F3SARM1SIRT2SIRT6
Mercaptopurine Anhydrous SCHEMBL14125532 0.79 F7 (0.55) F7F3SARM1SIRT2SIRT6
Adenine SCHEMBL23859925 0.79 F7 (0.55) F7F3SARM1SIRT2SIRT6
Adenine SCHEMBL11807677 0.79 F7 (0.55) 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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4791055-A ENZYME-CLEAVABLE BONDS MILES INC. (US) 1988-12-13 — — US disclosed
US-4629688-A CLINICAL ANALYSIS MILES LABORATORIES, INC. (US) 1986-12-16 — — US disclosed
US-4492751-A Heterogenous specific binding assay employing an enzyme substrate as label MILES LABORATORIES, INC. (US) 1985-01-08 — — US disclosed
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