SCHEMBL31552605

SCHEMBL31552605

C=C(OCC)c1cc(F)cc2c1NCC(NC(=O)OC(C)(C)C)CC2

nearest known ligand 0.40

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ EPHX2 P34913 1/20 0.40
▸ RIPK1 Q13546 2/20 0.38
▸ PARP1 P09874 3/20 0.38
▸ PARP2 Q9UGN5 1/20 0.36
▸ NPY5R Q15761 5/20 0.35
▸ RORC P51449 3/20 0.34
▸ DRD2 P14416 3/20 0.33
▸ KMT2A Q03164 1/20 0.32
▸ L3MBTL1 Q9Y468 1/20 0.32
▸ KCNA3 P22001 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
SCHEMBL31552773 0.85 EPHX2 (0.45) EPHX2RIPK1PARP1PARP2NPY5R
SCHEMBL31552625 0.80 EPHX2 (0.46) EPHX2RIPK1PARP1PARP2NPY5R
SCHEMBL31552619 0.74 EPHX2 (0.59) EPHX2PARP1PARP2NPY5RRORC
SCHEMBL20198791 0.68 EPHX2 (0.51) EPHX2DRD2KMT2AL3MBTL1KCNA3
SCHEMBL22737131 0.67 RIPK1 (0.52) RIPK1
SCHEMBL28714243 0.67 RIPK1 (0.52) RIPK1
SCHEMBL31287305 0.67 EPHX2 (0.79) EPHX2DRD2KMT2AL3MBTL1KCNA3
SCHEMBL22482343 0.67 EPHX2 (0.79) EPHX2DRD2KMT2AL3MBTL1KCNA3
SCHEMBL29675335 0.67 EPHX2 (0.79) EPHX2DRD2KMT2AL3MBTL1KCNA3
SCHEMBL29675261 0.67 EPHX2 (0.79) EPHX2DRD2KMT2AL3MBTL1KCNA3

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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