SCHEMBL28918484

SCHEMBL28918484

N#Cc1cn(CC2CC2)c2ccc(-c3nc(=O)cc[nH]3)cc12

nearest known ligand 0.66

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
XDH P47989 5/20 0.66

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
SCHEMBL28594477 0.82 XDH (0.66) XDH
SCHEMBL28597868 0.81 XDH (0.67) XDH
SCHEMBL28609047 0.80 XDH (0.66) XDH
SCHEMBL28409173 0.80 XDH (0.69) XDH
SCHEMBL28596767 0.78 XDH (0.64) XDH
SCHEMBL28596906 0.77 XDH (0.64) XDH
SCHEMBL28404838 0.75 XDH (0.69) XDH
SCHEMBL28609482 0.75 XDH (0.62) XDH
SCHEMBL1648971 0.72 XDH (0.61) XDH
SCHEMBL29992283 0.71 XDH (0.55) XDH

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-113173917-B 1-alkyl-5-tetrazolyl/pyrimidone-1H-indole-3-carbonitrile compound and preparation method and application thereof 沈阳药科大学 2022-04-08 CN claimed
CN-113173917-A 1-alkyl-5-tetrazolyl/pyrimidone-1H-indole-3-carbonitrile compound and preparation method and application thereof 沈阳药科大学 2021-07-27 CN claimed
CN-113173917-B 1-alkyl-5-tetrazolyl/pyrimidone-1H-indole-3-carbonitrile compound and preparation method and application thereof 沈阳药科大学 2022-04-08 CN disclosed
CN-113173917-A 1-alkyl-5-tetrazolyl/pyrimidone-1H-indole-3-carbonitrile compound and preparation method and application thereof 沈阳药科大学 2021-07-27 CN disclosed