SCHEMBL28868627

SCHEMBL28868627

Cc1c(Br)cccc1C#CC1CN(C(=O)OC(C)(C)C)C1

nearest known ligand 0.38

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ GPR119 Q8TDV5 4/20 0.38
▸ NAMPT P43490 1/20 0.38
▸ RORC P51449 3/20 0.38
▸ ALDH2 P05091 1/20 0.37
▸ GRM5 P41594 1/20 0.37
▸ KDM4E B2RXH2 1/20 0.36
▸ USP30 Q70CQ3 2/20 0.36
▸ UCHL1 P09936 1/20 0.36
▸ KMT2A Q03164 1/20 0.35
▸ LMNA P02545 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
SCHEMBL28868520 0.89 USP30 (0.42) GPR119USP30UCHL1KMT2A
SCHEMBL20294497 0.89 GPR119 (0.46) GPR119GRM5KDM4EKMT2A
SCHEMBL30021366 0.89 GPR119 (0.46) GPR119GRM5KDM4EKMT2A
SCHEMBL21722989 0.80 STS (0.43) GPR119NAMPTRORCALDH2USP30
SCHEMBL25263787 0.77 RORC (0.42) GPR119NAMPTRORCALDH2KDM4E
SCHEMBL22462862 0.77 GPR119 (0.41) GPR119RORCALDH2USP30KMT2A
SCHEMBL29693467 0.77 GPR119 (0.41) GPR119RORCALDH2USP30KMT2A
SCHEMBL30735089 0.76 KDM4E (0.45) GPR119KDM4EKMT2A
SCHEMBL22530217 0.76 STS (0.46) GPR119NAMPTRORCALDH2KDM4E
SCHEMBL30734613 0.76 GPR119 (0.44) GPR119KDM4EKMT2A

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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