SCHEMBL29326642

SCHEMBL29326642

COC(=O)c1ccc(Br)cc1N(C(=O)OC(C)(C)C)C(=O)OC(C)(C)C

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NR4A2 P43354 1/20 0.42
ABCG2 Q9UNQ0 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
HSD17B10 Q99714 2/20 0.39
GAA P10253 3/20 0.39
ALDH1A1 P00352 2/20 0.39
AAK1 Q2M2I8 1/20 0.38
SLC6A3 Q01959 1/20 0.38
CA12 O43570 1/20 0.36
CA1 P00915 1/20 0.36
CA2 P00918 1/20 0.36
CA7 P43166 1/20 0.36
PDK2 Q15119 1/20 0.36
PDK4 Q16654 1/20 0.36
CA9 Q16790 1/20 0.36
CA14 Q9ULX7 1/20 0.36
USP30 Q70CQ3 1/20 0.36
KDM4E B2RXH2 2/20 0.36
CHEK1 O14757 1/20 0.36
SMN1; SMN2 Q16637 2/20 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
SCHEMBL31056839 1.00 NR4A2 (0.42) NR4A2ABCG2L3MBTL1HSD17B10GAA
SCHEMBL21789125 0.88 NR4A2 (0.41) NR4A2ABCG2L3MBTL1HSD17B10GAA
SCHEMBL18719604 0.81 AAK1 (0.39) L3MBTL1ALDH1A1AAK1SMN1; SMN2NPC1
SCHEMBL21275144 0.79 ALDH1A1 (0.44) ALDH1A1SMN1; SMN2NPC1RAB9AHTT
SCHEMBL24325430 0.78 ATR (0.36) GAAALDH1A1AAK1CA12CA1
SCHEMBL29612081 0.78 SOS1 (0.39) GAAALDH1A1AAK1USP30KDM4E
SCHEMBL30836855 0.78 AAK1 (0.40) AAK1USP30SMN1; SMN2NPC1RECQL
SCHEMBL30369278 0.78 AAK1 (0.37) L3MBTL1AAK1USP30SMN1; SMN2NPC1
SCHEMBL21876581 0.77 NR4A2 (0.39) NR4A2L3MBTL1HSD17B10GAAALDH1A1
SCHEMBL4813988 0.77 NR4A2 (0.49) NR4A2ABCG2L3MBTL1HSD17B10GAA

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
WO-2024148274-A1 COMPLEMENT INHIBITION APELLIS PHARMACEUTICALS, INC. (US) 2024-07-11 WO disclosed