SCHEMBL29953419

SCHEMBL29953419

C=Cc1cnc(F)c(B(O)O)c1

nearest known ligand 0.33

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 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
SCHEMBL115734 1.00 PARP1 (0.33) PARP1
SCHEMBL16623137 0.75 TP53 (0.33) PARP1
SCHEMBL3576871 0.74 AGBL2 (0.35)
SCHEMBL29955213 0.74 AGBL2 (0.35)
SCHEMBL29925415 0.72 CCR1 (0.35)
SCHEMBL114902 0.72 CCR1 (0.35)
SCHEMBL22026605 0.72
SCHEMBL29956920 0.72
SCHEMBL12311146 0.72 LPL (0.36) PARP1
SCHEMBL115740 0.71 HTT (0.34)

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
US-20220340893-A1 BI-FUNCTIONAL COMPLEXES AND METHODS FOR MAKING AND USING SUCH COMPLEXES NUEVOLUTION A/S (DK) 2022-10-27 US disclosed