SCHEMBL28810229

SCHEMBL28810229

CC(C)(C)OC(=O)N1CCC(NC(=O)c2cn(C(=O)OC(C)(C)C)c3ccc(Br)cc23)C1

nearest known ligand 0.61

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ USP30 Q70CQ3 12/20 0.61
▸ KRAS P01116 5/20 0.53
▸ FPR3 P25089 1/20 0.47
▸ FPR2 P25090 1/20 0.47
▸ PARP1 P09874 1/20 0.45
▸ HDAC4 P56524 1/20 0.44
▸ HDAC6 Q9UBN7 1/20 0.44

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
SCHEMBL23533928 0.94 USP30 (0.54) USP30KRASFPR3FPR2PARP1
SCHEMBL31123851 0.83 USP30 (0.44) USP30KRASFPR3FPR2PARP1
SCHEMBL29753933 0.83 USP30 (0.44) USP30KRASFPR3FPR2PARP1
SCHEMBL23019685 0.81 USP30 (0.70) USP30FPR3FPR2PARP1HDAC4
SCHEMBL18124204 0.81 USP30 (0.70) USP30FPR3FPR2PARP1HDAC4
SCHEMBL29779090 0.81 USP30 (0.70) USP30FPR3FPR2PARP1HDAC4
SCHEMBL28613694 0.81 USP30 (0.55) USP30PARP1HDAC4HDAC6
SCHEMBL23533872 0.80 USP30 (0.61) USP30KRASFPR3FPR2PARP1
SCHEMBL3720765 0.78 USP30 (0.65) USP30FPR3FPR2PARP1HDAC4
SCHEMBL4272499 0.77 USP30 (0.67) USP30FPR3FPR2PARP1HDAC4

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-114867718-A Novel indazole derivative and use thereof 韩国化学研究院 2022-08-05 — — CN disclosed
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