SCHEMBL10423398

SCHEMBL10423398

N=C(N=Nc1cccnc1)C(N)=O

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR3E A5X5Y0 1/20 0.50
HTR3B O95264 1/20 0.50
HTR3A P46098 1/20 0.50
HTR3D Q70Z44 1/20 0.50
HTR3C Q8WXA8 1/20 0.50
ALDH1A1 P00352 3/20 0.44
MAPT P10636 3/20 0.44
F7 P08709 1/20 0.43
F3 P13726 1/20 0.43
SARM1 Q6SZW1 1/20 0.43
SIRT2 Q8IXJ6 1/20 0.43
SIRT6 Q8N6T7 1/20 0.43
SIRT1 Q96EB6 1/20 0.43
SIRT3 Q9NTG7 1/20 0.43
SIRT5 Q9NXA8 1/20 0.43
SIRT4 Q9Y6E7 1/20 0.43
NOS3 P29474 2/20 0.41
NOS1 P29475 2/20 0.41
NOS2 P35228 2/20 0.41
MEN1 O00255 2/20 0.39

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
SCHEMBL19417831 0.80 HTR3E (0.46) HTR3EHTR3BHTR3AHTR3DHTR3C
SCHEMBL27729597 0.75 HTR3E (0.55) HTR3EHTR3BHTR3AHTR3DHTR3C
SCHEMBL3284038 0.72 HTR3E (0.58) HTR3EHTR3BHTR3AHTR3DHTR3C
SCHEMBL5174355 0.72 HTR3E (0.58) HTR3EHTR3BHTR3AHTR3DHTR3C
SCHEMBL1008978 0.72 HTR3E (0.60) HTR3EHTR3BHTR3AHTR3DHTR3C
Acetamide SCHEMBL11563638 0.69 HTR3E (0.56) HTR3EHTR3BHTR3AHTR3DHTR3C
Pyraxinine SCHEMBL2456850 0.67 HTR3E (1.00) HTR3EHTR3BHTR3AHTR3DHTR3C
SCHEMBL670198 0.67 ALDH1A1 (0.57) HTR3EHTR3BHTR3AHTR3DHTR3C
SCHEMBL670197 0.67 ALDH1A1 (0.57) HTR3EHTR3BHTR3AHTR3DHTR3C
Niacinamide SCHEMBL472893 0.66 F7 (0.92) ALDH1A1MAPTF7F3SARM1

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
JP-2028177-A None JP disclosed
JP-H0228177-A NOVEL PRODUCTION OF IMIDAZOPYRIDINE DERIVATIVE YAMANOUCHI PHARMACEUT CO LTD 1990-01-30 JP disclosed