SCHEMBL29952522

SCHEMBL29952522

CNc1cncc(C=O)c1OC1CC1

nearest known ligand 0.32

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.32
AOC1 P19801 1/20 0.31
AOC3 Q16853 1/20 0.31

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
SCHEMBL29953031 0.78 KAT2B (0.40) POLB
SCHEMBL29954655 0.77 CA1 (0.39) POLB
SCHEMBL29958451 0.76 MAP4K4 (0.32) POLB
SCHEMBL29956551 0.76 POLB (0.37) POLB
SCHEMBL29953254 0.76 MAP4K4 (0.33)
SCHEMBL29955833 0.76 POLB (0.35) POLBAOC1AOC3
SCHEMBL29956486 0.75 MAP4K4 (0.40)
SCHEMBL29951309 0.73 POLB (0.32) POLBAOC1AOC3
SCHEMBL29950762 0.68 ERN1 (0.36) POLB
SCHEMBL29954871 0.68 PTPN1 (0.38) POLB

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