SCHEMBL31552773

SCHEMBL31552773

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

nearest known ligand 0.45

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ EPHX2 P34913 1/20 0.45
▸ RIPK1 Q13546 1/20 0.42
▸ PARP1 P09874 3/20 0.41
▸ PARP2 Q9UGN5 1/20 0.37
▸ NPY5R Q15761 4/20 0.36
▸ DRD2 P14416 2/20 0.35
▸ BTK Q06187 1/20 0.34
▸ GAA P10253 1/20 0.34
▸ KDM1A O60341 1/20 0.34
▸ MAOB P27338 1/20 0.34
▸ KDM4D Q6B0I6 1/20 0.33
▸ RORC P51449 1/20 0.33
▸ KMT2A Q03164 1/20 0.33
▸ L3MBTL1 Q9Y468 1/20 0.33

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
SCHEMBL31552625 0.86 EPHX2 (0.46) EPHX2RIPK1PARP1PARP2NPY5R
SCHEMBL31552605 0.85 EPHX2 (0.40) EPHX2RIPK1PARP1PARP2NPY5R
SCHEMBL31552619 0.79 EPHX2 (0.59) EPHX2PARP1PARP2NPY5RDRD2
SCHEMBL22737131 0.72 RIPK1 (0.52) RIPK1GAA
SCHEMBL28714243 0.72 RIPK1 (0.52) RIPK1GAA
SCHEMBL31287305 0.71 EPHX2 (0.79) EPHX2DRD2BTKKDM1AMAOB
SCHEMBL29675335 0.71 EPHX2 (0.79) EPHX2DRD2BTKKDM1AMAOB
SCHEMBL22482343 0.71 EPHX2 (0.79) EPHX2DRD2BTKKDM1AMAOB
SCHEMBL29675261 0.71 EPHX2 (0.79) EPHX2DRD2BTKKDM1AMAOB
SCHEMBL24096964 0.71 EPHX2 (0.52) EPHX2DRD2BTKGAAKDM1A

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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