SCHEMBL29289581

SCHEMBL29289581

COc1nc(O[C@H]2CCc3c(-c4cccc(C(=O)Nc5ccc(CNC(C)(C)C(=O)O)cn5)c4Cl)cccc32)c(Cl)cc1CNC(C)(C)C(=O)O

nearest known ligand 0.78

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
PDCD1 Q15116 20/20 0.78
CD274 Q9NZQ7 20/20 0.78

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
SCHEMBL29289629 0.94 CD274 (0.78) PDCD1CD274
SCHEMBL29289635 0.94 CD274 (0.78) PDCD1CD274
SCHEMBL29289638 0.93 PDCD1 (0.73) PDCD1CD274
SCHEMBL29289633 0.93 PDCD1 (0.73) PDCD1CD274
SCHEMBL29289596 0.91 PDCD1 (0.88) PDCD1CD274
SCHEMBL29289593 0.91 PDCD1 (0.88) PDCD1CD274
SCHEMBL29289592 0.89 PDCD1 (0.87) PDCD1CD274
SCHEMBL29289595 0.89 PDCD1 (0.87) PDCD1CD274
SCHEMBL29289813 0.87 PDCD1 (0.73) PDCD1CD274
SCHEMBL29289575 0.86 CD274 (0.82) 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