SCHEMBL31552643

SCHEMBL31552643

CC(C)(C)OC(=O)NC1CCc2cc(F)ccc2NC1=C=O

nearest known ligand 0.37

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ SCN9A Q15858 6/20 0.37
▸ EPHX2 P34913 1/20 0.37
▸ DPP8 Q6V1X1 1/20 0.37
▸ DPP9 Q86TI2 1/20 0.37
▸ TRPV1 Q8NER1 3/20 0.37
▸ NPY5R Q15761 5/20 0.36
▸ GAA P10253 1/20 0.36
▸ RIPK1 Q13546 1/20 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
SCHEMBL13878893 0.78 GAA (0.45) EPHX2DPP8DPP9GAARIPK1
SCHEMBL4066845 0.78 GAA (0.45) EPHX2DPP8DPP9GAARIPK1
SCHEMBL31552619 0.76 EPHX2 (0.59) EPHX2NPY5R
SCHEMBL9024887 0.75 RIPK1 (0.40) SCN9ADPP8DPP9TRPV1RIPK1
SCHEMBL13783986 0.74 RIPK1 (0.46) EPHX2GAARIPK1
SCHEMBL1270296 0.73 RIPK1 (0.58) EPHX2TRPV1GAARIPK1
SCHEMBL1270295 0.73 RIPK1 (0.58) EPHX2TRPV1GAARIPK1
SCHEMBL14391619 0.73 RIPK1 (0.47) EPHX2GAARIPK1
SCHEMBL1269028 0.73 RIPK1 (0.52) EPHX2GAARIPK1
SCHEMBL1269024 0.73 RIPK1 (0.52) EPHX2GAARIPK1

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-2025077767-A1 NOVEL I-TYPE TOPOISOMERASE INHIBITOR, AND PREPARATION METHOD THEREFOR AND USE THEREOF 上海翊维康医药有限责任公司 2025-04-17 — — WO disclosed
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