SCHEMBL29756202

SCHEMBL29756202

Brc1ccc(I)n2ncnc12

nearest known ligand 0.33

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
XDH P47989 1/20 0.33

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
SCHEMBL29756193 1.00 XDH (0.33) XDH
SCHEMBL23030172 0.76 ALDH1A1 (0.36)
Hydrochloric Acid SCHEMBL29756171 0.74 CHEK1 (0.34)
SCHEMBL23030088 0.73
SCHEMBL23030338 0.72 MBOAT4 (0.32)
SCHEMBL24587035 0.72 PDE1B (0.36)
SCHEMBL19456695 0.72 TP53 (0.40)
SCHEMBL23030305 0.72 ACVRL1 (0.30)
SCHEMBL23029961 0.72 ALDH1A1 (0.36)
SCHEMBL29756383 0.71 PDE4A (0.35) 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-2022171166-A1 AZAHETEROARYL COMPOUND, PREPARATION METHOD THEREFOR, AND APPLICATION THEREOF 上海青煜医药科技有限公司 2022-08-18 WO disclosed