SCHEMBL30454411

SCHEMBL30454411

Brc1ccc2c(n1)NCCCO2

nearest known ligand 0.37

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
JAK2 O60674 1/20 0.37
GRM5 P41594 2/20 0.31
MAPT P10636 2/20 0.31
ALDH1A1 P00352 1/20 0.31
GAA P10253 1/20 0.31
HSD17B10 Q99714 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.30
LMNA P02545 1/20 0.30
HTT P42858 1/20 0.30
BLM P54132 1/20 0.30
ADRA2A P08913 1/20 0.30
ADRA2B P18089 1/20 0.30
ADRA2C P18825 1/20 0.30
ADRA1D P25100 1/20 0.30
ADRA1A P35348 1/20 0.30
ADRA1B P35368 1/20 0.30

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
SCHEMBL1814471 1.00 JAK2 (0.37) JAK2GRM5MAPTALDH1A1GAA
SCHEMBL2596436 0.89 MAPT (0.40) GRM5MAPTALDH1A1GAAHSD17B10
SCHEMBL29659230 0.89 MAPT (0.40) GRM5MAPTALDH1A1GAAHSD17B10
SCHEMBL6264453 0.79 UHRF1 (0.41) JAK2GRM5MAPTALDH1A1GAA
SCHEMBL18053842 0.79 JAK2 (0.37) JAK2GRM5MAPTALDH1A1GAA
SCHEMBL21281617 0.79 JAK2 (0.35) JAK2MAPTALDH1A1GAAHSD17B10
SCHEMBL6261287 0.73 ITGAV (0.37) JAK2
SCHEMBL6261283 0.73 JAK2 (0.34) JAK2MAPTALDH1A1GAAHSD17B10
SCHEMBL13212813 0.71 ALDH1A1 (0.40) GRM5MAPTALDH1A1GAAHSD17B10
SCHEMBL2848871 0.71 GRM5 (0.41) JAK2GRM5LMNAHTT

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-113227068-B GLP-1R agonists and uses thereof 上海齐鲁锐格医药研发有限公司 2023-06-13 CN disclosed