SCHEMBL30802482

SCHEMBL30802482

COC(=O)c1ccc(Br)cc1CCBr

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NR4A2 P43354 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.43
ALDH1A1 P00352 6/20 0.43
LMNA P02545 1/20 0.43
GAA P10253 3/20 0.43
SLC6A3 Q01959 1/20 0.42
CA12 O43570 1/20 0.41
CA1 P00915 1/20 0.41
CA2 P00918 1/20 0.41
CA7 P43166 1/20 0.41
PDK2 Q15119 1/20 0.41
PDK4 Q16654 1/20 0.41
CA9 Q16790 1/20 0.41
CA14 Q9ULX7 1/20 0.41
ABCG2 Q9UNQ0 1/20 0.40
HSD17B10 Q99714 2/20 0.40
CHEK1 O14757 1/20 0.39
KDM4E B2RXH2 4/20 0.39
HPGD P15428 3/20 0.39
MAPT P10636 2/20 0.39

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
SCHEMBL12095473 1.00 NR4A2 (0.47) NR4A2L3MBTL1ALDH1A1LMNAGAA
SCHEMBL4462372 0.87 NR4A2 (0.47) NR4A2L3MBTL1ALDH1A1LMNAGAA
SCHEMBL16056048 0.87 NR4A2 (0.47) NR4A2L3MBTL1ALDH1A1LMNAGAA
SCHEMBL275285 0.87 NR4A2 (0.49) NR4A2L3MBTL1ALDH1A1LMNAGAA
SCHEMBL30752924 0.87 NR4A2 (0.49) NR4A2L3MBTL1ALDH1A1LMNAGAA
SCHEMBL15100966 0.86 HPGD (0.47) NR4A2L3MBTL1ALDH1A1LMNAGAA
SCHEMBL3712715 0.85 NR4A2 (0.50) NR4A2L3MBTL1ALDH1A1LMNAGAA
SCHEMBL16304136 0.83 NR4A2 (0.49) NR4A2L3MBTL1ALDH1A1LMNAGAA
SCHEMBL28819764 0.83 KDM4E (0.49) NR4A2ALDH1A1CA1CA2HSD17B10
SCHEMBL28068823 0.83 ABL1 (0.55) NR4A2L3MBTL1ALDH1A1LMNASLC6A3

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-117561244-A Isoindolinone compounds and uses thereof 杭州格博生物医药有限公司 2024-02-13 CN disclosed