SCHEMBL28776901

SCHEMBL28776901

CC(C)(C)OCC(OC(N)=O)c1noc(C(N)CC(=O)NC(c2ccccc2)(c2ccccc2)c2ccccc2)n1

nearest known ligand 0.37

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
HCAR2 Q8TDS4 2/20 0.37

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
SCHEMBL28776897 1.00 HCAR2 (0.37) HCAR2
SCHEMBL28776795 0.80 MDM4 (0.38)
SCHEMBL28776797 0.80 MDM4 (0.38)
SCHEMBL28776804 0.79 MEN1 (0.32)
SCHEMBL28776805 0.79 MEN1 (0.32)
SCHEMBL28776803 0.79 MEN1 (0.32)
SCHEMBL19871032 0.78 HCAR2 (0.40) HCAR2
SCHEMBL19871039 0.76 ALDH1A1 (0.39) HCAR2
SCHEMBL16558036 0.73 ALDH1A1 (0.35) HCAR2
SCHEMBL19863311 0.69 HCAR2 (0.39) HCAR2

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
CN-108794422-B Heterocyclic compounds as PD-L1 inhibitors 南京圣和药业股份有限公司 2022-07-01 CN disclosed