SCHEMBL28613231

SCHEMBL28613231

COc1ccnc(-c2ccc3c(c2)c(C#N)cn3C(C)C)n1

nearest known ligand 0.60

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
XDH P47989 5/20 0.60

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
SCHEMBL29572481 1.00 XDH (0.60) XDH
SCHEMBL28596772 0.84 XDH (0.62) XDH
SCHEMBL29573435 0.84 XDH (0.62) XDH
SCHEMBL29572845 0.83 XDH (0.63) XDH
SCHEMBL28597882 0.83 XDH (0.63) XDH
SCHEMBL29572866 0.79 XDH (0.61) XDH
SCHEMBL28602096 0.79 XDH (0.61) XDH
SCHEMBL29572811 0.79 XDH (0.61) XDH
SCHEMBL26613987 0.75 XDH (0.56) XDH
SCHEMBL31072381 0.73 XDH (0.56) 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 2 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 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