SCHEMBL29955865

SCHEMBL29955865

N#CC[C@H](N)c1ccc(C=O)nc1

nearest known ligand 0.32

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
KCNJ1 P48048 1/20 0.32

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
SCHEMBL29952432 1.00 KCNJ1 (0.32) KCNJ1
SCHEMBL15331456 0.80 KCNJ1 (0.35) KCNJ1
SCHEMBL15331646 0.80 KCNJ1 (0.35) KCNJ1
SCHEMBL15329718 0.79 KCNJ1 (0.34) KCNJ1
SCHEMBL15331982 0.79 SLC6A4 (0.41) KCNJ1
SCHEMBL15330307 0.79 KCNJ1 (0.34) KCNJ1
SCHEMBL2555343 0.79 SLC6A4 (0.41) KCNJ1
SCHEMBL15332598 0.76 IRAK4 (0.35) KCNJ1
SCHEMBL2561270 0.76 IRAK4 (0.35) KCNJ1
SCHEMBL18602334 0.76 CHEK1 (0.32)

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