SCHEMBL28868520

SCHEMBL28868520

Cc1c(Br)cccc1C#CC1CCCN(C(=O)OC(C)(C)C)C1

nearest known ligand 0.42

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ USP30 Q70CQ3 2/20 0.42
▸ UCHL1 P09936 2/20 0.41
▸ MEN1 O00255 1/20 0.40
▸ ALDH1A1 P00352 1/20 0.40
▸ MAPT P10636 1/20 0.40
▸ KMT2A Q03164 1/20 0.40
▸ ACKR3 P25106 1/20 0.39
▸ GPR119 Q8TDV5 3/20 0.39
▸ FPR2 P25090 2/20 0.39
▸ HPGDS O60760 1/20 0.38
▸ HSD11B1 P28845 1/20 0.37
▸ PARP1 P09874 1/20 0.37
▸ FPR3 P25089 1/20 0.37
▸ PRMT5 O14744 1/20 0.37
▸ WDR77 Q9BQA1 1/20 0.37
▸ APLNR P35414 1/20 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
SCHEMBL28868627 0.89 GPR119 (0.38) USP30UCHL1KMT2AGPR119
SCHEMBL30021366 0.87 GPR119 (0.46) MEN1ALDH1A1KMT2AGPR119
SCHEMBL20294497 0.87 GPR119 (0.46) MEN1ALDH1A1KMT2AGPR119
SCHEMBL2792027 0.79 GPR119 (0.43) USP30MEN1ALDH1A1MAPTKMT2A
SCHEMBL2792024 0.79 GPR119 (0.43) USP30MEN1ALDH1A1MAPTKMT2A
SCHEMBL26636634 0.76 KDM4E (0.45) KMT2AGPR119
SCHEMBL30735089 0.76 KDM4E (0.45) KMT2AGPR119
SCHEMBL193960 0.75 MEN1 (0.45) USP30MEN1ALDH1A1MAPTKMT2A
SCHEMBL31652058 0.75 USP30 (0.45) USP30UCHL1MEN1ALDH1A1MAPT
SCHEMBL20284097 0.75 GPR119 (0.43) USP30MEN1ALDH1A1MAPTKMT2A

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-115232109-A PD-1/PD-L1 small molecule inhibitor and application thereof in medicines 广东东阳光药业有限公司 2022-10-25 — — CN disclosed
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