SCHEMBL29992201

SCHEMBL29992201

CCOC(=O)c1cnn(-c2ccc3c(c2)c(C#N)cn3C(C)C)n1

nearest known ligand 0.55

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
XDH P47989 2/20 0.42
KDM4E B2RXH2 1/20 0.39
POLB P06746 1/20 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
SCHEMBL27167479 1.00 XDH (0.42) XDHKDM4EPOLB
SCHEMBL29082870 0.90 XDH (0.38) XDHKDM4EPOLB
SCHEMBL29082876 0.89 XDH (0.46) XDH
SCHEMBL26613984 0.86 XDH (0.46) XDH
SCHEMBL31464239 0.86 XDH (0.38) XDH
SCHEMBL30633876 0.85 XDH (0.39) XDH
SCHEMBL31464227 0.85 XDH (0.39) XDH
SCHEMBL27167522 0.84 XDH (0.41) XDHKDM4EPOLB
SCHEMBL29082877 0.83 TRPV1 (0.37)
SCHEMBL1647186 0.82 NOTUM (0.54) 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2022233264-A1 CLASS OF XANTHINE OXIDASE INHIBITORS 江苏新元素医药科技有限公司 2022-11-10 WO disclosed