SCHEMBL29289596

SCHEMBL29289596

COc1nc(O[C@H]2CCc3c(-c4cccc(C(=O)Nc5ccc(CNC(C)(C)C(=O)O)cn5)c4Cl)cccc32)c(Cl)cc1CNCC1CCC(=O)N1

nearest known ligand 0.88

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
PDCD1 Q15116 20/20 0.88
CD274 Q9NZQ7 20/20 0.88

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
SCHEMBL29289593 1.00 PDCD1 (0.88) PDCD1CD274
SCHEMBL29289598 0.95 PDCD1 (0.86) PDCD1CD274
SCHEMBL29289603 0.95 PDCD1 (0.86) PDCD1CD274
SCHEMBL29289802 0.94 PDCD1 (0.86) PDCD1CD274
SCHEMBL29289799 0.94 PDCD1 (0.86) PDCD1CD274
SCHEMBL29289581 0.91 PDCD1 (0.78) PDCD1CD274
SCHEMBL29289519 0.89 PDCD1 (0.88) PDCD1CD274
SCHEMBL29289690 0.89 PDCD1 (0.88) PDCD1CD274
SCHEMBL29289677 0.89 PDCD1 (0.88) PDCD1CD274
SCHEMBL29289722 0.89 PDCD1 (0.90) PDCD1CD274

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-113563260-A Benzamide compound, preparation method and application 药康众拓(江苏)医药科技有限公司 2021-10-29 CN disclosed