SCHEMBL19218108

SCHEMBL19218108

CC(C)(C)OC(=O)CCCCC1CNCCN1C(=O)OC(C)(C)C

nearest known ligand 0.47

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ PARP1 P09874 1/20 0.47
▸ EPHX2 P34913 1/20 0.34
▸ ATM Q13315 2/20 0.32
▸ CA1 P00915 2/20 0.32
▸ CA2 P00918 2/20 0.32
▸ CA4 P22748 2/20 0.32
▸ CA9 Q16790 2/20 0.32
▸ NR1H2 P55055 2/20 0.31
▸ NR1H3 Q13133 2/20 0.31
▸ DDB1 Q16531 1/20 0.31
▸ CRBN Q96SW2 1/20 0.31

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
SCHEMBL31218759 0.87 PARP1 (0.52) PARP1ATMCA1CA2CA4
SCHEMBL30872577 0.87 PARP1 (0.49) PARP1ATMCA1CA2CA4
SCHEMBL6110934 0.87 PARP1 (0.49) PARP1ATMCA1CA2CA4
SCHEMBL18129846 0.86 PARP1 (0.50) PARP1ATMCA1CA2CA4
SCHEMBL5224952 0.86 PARP1 (0.50) PARP1ATMCA1CA2CA4
SCHEMBL5224956 0.86 PARP1 (0.50) PARP1ATMCA1CA2CA4
SCHEMBL16846248 0.86 PARP1 (0.50) PARP1ATMCA1CA2CA4
SCHEMBL9052251 0.86 PARP1 (0.50) PARP1ATMCA1CA2CA4
SCHEMBL31476848 0.85 PARP1 (0.49) PARP1ATMCA1CA2CA4
SCHEMBL19218107 0.84 PARP1 (0.46) PARP1ATM

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
EP-2864318-B1 2-AMINOPYRAZINE DERIVATIVES AS CSF-1R KINASE INHIBITORS MACROPHAGE PHARMA LTD (GB) 2017-08-09 — — EP disclosed
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