SCHEMBL30694686

SCHEMBL30694686

Cc1c(CO)cccc1-c1ccccc1F

nearest known ligand 0.65

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CD274 Q9NZQ7 7/20 0.65
PDCD1 Q15116 6/20 0.65
KCNN4 O15554 2/20 0.42
DHODH Q02127 1/20 0.39
PDK2 Q15119 1/20 0.38
VSIR Q9H7M9 1/20 0.38
ALDH1A1 P00352 1/20 0.37
MAPT P10636 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
CA12 O43570 1/20 0.36
CA9 Q16790 1/20 0.36
GCGR P47871 1/20 0.36
LMNA P02545 1/20 0.36
RAB9A P51151 1/20 0.36
ACHE P22303 1/20 0.35
TAAR1 Q96RJ0 1/20 0.35

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
SCHEMBL16245269 0.86 PDCD1 (0.76) CD274PDCD1PDK2
SCHEMBL3858523 0.82 KCNN4 (0.51) CD274PDCD1KCNN4PDK2ALDH1A1
SCHEMBL3127809 0.82 PDCD1 (0.53) CD274PDCD1KCNN4ALDH1A1ACHE
SCHEMBL6027619 0.81 PDCD1 (0.69) CD274PDCD1PDK2VSIRMAPT
SCHEMBL30255315 0.81 PDCD1 (0.69) CD274PDCD1PDK2VSIRMAPT
SCHEMBL358303 0.79 CD274 (1.00) CD274PDCD1ALDH1A1
SCHEMBL6029512 0.79 PDCD1 (0.66) CD274PDCD1ALDH1A1MAPTCA9
SCHEMBL29558512 0.79 CD274 (1.00) CD274PDCD1ALDH1A1
SCHEMBL31396692 0.78 CD274 (0.65) CD274PDCD1CA12CA9LMNA
SCHEMBL22401073 0.78 PDCD1 (0.70) CD274PDCD1DHODHGCGR

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-119768390-A Novel bicyclo PD-L1 inhibitor and preparation method and medical application thereof 西安新通药物研究股份有限公司 2025-04-04 CN disclosed
CN-116854667-A Proteolytic targeted chimera for targeted degradation of PD-L1 and application thereof 浙江工业大学 2023-10-10 CN disclosed