SCHEMBL31218759

SCHEMBL31218759

CC(C)(C)OC(=O)N1CCNCC1CCCBr

nearest known ligand 0.52

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ PARP1 P09874 1/20 0.52
▸ ATM Q13315 2/20 0.33
▸ CA1 P00915 2/20 0.33
▸ CA2 P00918 2/20 0.33
▸ CA4 P22748 2/20 0.33
▸ CA9 Q16790 2/20 0.33
▸ NR1H2 P55055 2/20 0.32
▸ NR1H3 Q13133 2/20 0.32
▸ HSD17B10 Q99714 1/20 0.32

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
SCHEMBL5224952 0.88 PARP1 (0.50) PARP1ATMCA1CA2CA4
SCHEMBL9052251 0.88 PARP1 (0.50) PARP1ATMCA1CA2CA4
SCHEMBL5224956 0.88 PARP1 (0.50) PARP1ATMCA1CA2CA4
SCHEMBL16846248 0.88 PARP1 (0.50) PARP1ATMCA1CA2CA4
SCHEMBL18129846 0.88 PARP1 (0.50) PARP1ATMCA1CA2CA4
SCHEMBL19218108 0.87 PARP1 (0.47) PARP1ATMCA1CA2CA4
SCHEMBL30872577 0.87 PARP1 (0.49) PARP1ATMCA1CA2CA4
SCHEMBL31476848 0.87 PARP1 (0.49) PARP1ATMCA1CA2CA4
SCHEMBL6110934 0.87 PARP1 (0.49) PARP1ATMCA1CA2CA4
SCHEMBL8575126 0.86 PARP1 (0.48) PARP1ATMCA1CA2CA4

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-119013277-A TYK2 degrading agent and application thereof 凯麦拉医疗公司 2024-11-22 — — CN disclosed
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