SCHEMBL25075284

SCHEMBL25075284

C[C@@H](COc1cccc(Br)c1F)NC(=O)OC(C)(C)C

nearest known ligand 0.50

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
AAK1 Q2M2I8 8/20 0.49
CTSS P25774 1/20 0.40
CTSK P43235 1/20 0.40

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
SCHEMBL6176223 0.88 AAK1 (0.48) AAK1CTSSCTSK
SCHEMBL6176229 0.88 AAK1 (0.48) AAK1CTSSCTSK
SCHEMBL28602972 0.84 AAK1 (0.46) AAK1CTSSCTSK
SCHEMBL30193073 0.82 AAK1 (0.49) AAK1CTSSCTSK
SCHEMBL27008203 0.82 AAK1 (0.49) AAK1CTSSCTSK
SCHEMBL27134266 0.82 AAK1 (0.49) AAK1CTSSCTSK
SCHEMBL30169339 0.82 AAK1 (0.48) AAK1CTSSCTSK
SCHEMBL22526235 0.82 AAK1 (0.48) AAK1CTSSCTSK
SCHEMBL30346690 0.81 CTSS (0.49) AAK1CTSSCTSK
SCHEMBL29280782 0.81 CTSS (0.49) AAK1CTSSCTSK

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
WO-2023020479-A1 PARP7 INHIBITOR AND APPLICATION THEREOF 重庆华森制药股份有限公司 2023-02-23 WO disclosed