SCHEMBL31552619

SCHEMBL31552619

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

nearest known ligand 0.59

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ EPHX2 P34913 1/20 0.59
▸ NPY5R Q15761 5/20 0.43
▸ KDM4D Q6B0I6 3/20 0.39
▸ PARP1 P09874 2/20 0.39
▸ PARP2 Q9UGN5 1/20 0.39
▸ DRD2 P14416 2/20 0.39
▸ RORC P51449 2/20 0.38
▸ KDM1A O60341 1/20 0.38
▸ MAOB P27338 1/20 0.38
▸ PLK1 P53350 1/20 0.37
▸ HTR1D P28221 1/20 0.37
▸ HTR1B P28222 1/20 0.37
▸ HDAC8 Q9BY41 1/20 0.37
▸ KMT2A Q03164 1/20 0.36
▸ L3MBTL1 Q9Y468 1/20 0.36

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
SCHEMBL29675335 0.83 EPHX2 (0.79) EPHX2DRD2KDM1AMAOBKMT2A
SCHEMBL29675261 0.83 EPHX2 (0.79) EPHX2DRD2KDM1AMAOBKMT2A
SCHEMBL22482343 0.83 EPHX2 (0.79) EPHX2DRD2KDM1AMAOBKMT2A
SCHEMBL31287305 0.83 EPHX2 (0.79) EPHX2DRD2KDM1AMAOBKMT2A
SCHEMBL31552625 0.80 EPHX2 (0.46) EPHX2NPY5RKDM4DPARP1PARP2
SCHEMBL31552773 0.79 EPHX2 (0.45) EPHX2NPY5RKDM4DPARP1PARP2
SCHEMBL22527288 0.77 EPHX2 (0.59) EPHX2PARP1PARP2DRD2RORC
SCHEMBL29675338 0.77 EPHX2 (0.59) EPHX2PARP1PARP2DRD2RORC
SCHEMBL22482701 0.77 EPHX2 (0.76) EPHX2DRD2KDM1AMAOBKMT2A
SCHEMBL22469816 0.77 EPHX2 (0.76) EPHX2DRD2KDM1AMAOBKMT2A

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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