SCHEMBL31510285

SCHEMBL31510285

CC(C)Oc1cc2c(cc1[N+](=O)[O-])C(=O)NCC2

nearest known ligand 0.40

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PARP10 Q53GL7 10/20 0.40
PARP1 P09874 6/20 0.40
PARP11 Q9NR21 5/20 0.40
KDM4E B2RXH2 1/20 0.40
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
PDK1 Q15118 1/20 0.39
XDH P47989 1/20 0.38
ALDH1A1 P00352 1/20 0.38
MAPT P10636 1/20 0.38
F7 P08709 1/20 0.38
F3 P13726 1/20 0.38
ACHE P22303 1/20 0.35
PDPK1 O15530 1/20 0.35
ADRA2A P08913 1/20 0.34
ADRA2B P18089 1/20 0.34
ADRA2C P18825 1/20 0.34
SYK P43405 1/20 0.34

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
SCHEMBL2205282 0.85 MEN1 (0.48) PARP10PARP1PARP11KDM4EMEN1
SCHEMBL28090202 0.82 PDK1 (0.40) MEN1KMT2APDK1XDHMAPT
SCHEMBL29037818 0.80 MEN1 (0.48) PARP10PARP1PARP11KDM4EMEN1
SCHEMBL11518151 0.80 MAPT (0.54) MEN1KMT2APDK1XDHALDH1A1
SCHEMBL29520449 0.80 MEN1 (0.48) PARP10PARP1PARP11KDM4EMEN1
SCHEMBL18875036 0.78 PARP10 (0.50) PARP10PARP1PARP11KDM4EMEN1
SCHEMBL17064696 0.75 PARP10 (0.50) PARP10PARP1PARP11KDM4EALDH1A1
SCHEMBL31510260 0.75 KDM4E (0.45) PARP10PARP1PARP11KDM4EALDH1A1
SCHEMBL28899149 0.75 ALDH1A1 (0.66) PARP10PARP1PARP11KDM4EALDH1A1
SCHEMBL27087781 0.75 KDM4E (0.45) PARP10PARP1PARP11KDM4EMEN1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2025051129-A1 ARYL HETEROCYCLIC SLC7A11 INHIBITOR, AND PREPARATION METHOD THEREFOR AND USE THEREOF 上海深势唯思科技有限责任公司 2025-03-13 WO disclosed
CN-119552124-A Aryl heterocycle SLC7A11 inhibitor and preparation method and application thereof 上海深势唯思科技有限责任公司 2025-03-04 CN disclosed