SCHEMBL26635484

SCHEMBL26635484

N#Cc1cc(-c2ccc(Cl)cc2C=O)cnc1C#N

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
USP8 P40818 2/20 0.44
USP7 Q93009 2/20 0.44
XDH P47989 2/20 0.42
USP47 Q96K76 1/20 0.41
CNR2 P34972 3/20 0.38
ALDH1A1 P00352 4/20 0.38
TDP1 Q9NUW8 4/20 0.38
NPSR1 Q6W5P4 1/20 0.38
KDM4E B2RXH2 4/20 0.36
CYP1A2 P05177 3/20 0.36
CYP2C9 P11712 3/20 0.36
CYP2C19 P33261 3/20 0.36
CYP3A4 P08684 2/20 0.36
HPGD P15428 2/20 0.36
GAA P10253 1/20 0.36
CYP2D6 P10635 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
ERN1 O75460 1/20 0.36
SCN9A Q15858 1/20 0.35
ABL1 P00519 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
SCHEMBL30540273 1.00 USP8 (0.44) USP8USP7XDHUSP47CNR2
SCHEMBL30540164 0.88 ALDH1A1 (0.51) USP8USP7XDHUSP47CNR2
SCHEMBL26635456 0.88 ALDH1A1 (0.51) USP8USP7XDHUSP47CNR2
SCHEMBL30540283 0.86 USP8 (0.43) USP8USP7XDHUSP47CNR2
SCHEMBL26635189 0.86 USP8 (0.43) USP8USP7XDHUSP47CNR2
SCHEMBL26635169 0.81 XDH (0.46) USP8USP7XDHUSP47ALDH1A1
SCHEMBL26635210 0.79 XDH (0.47) USP8USP7XDHCNR2ALDH1A1
SCHEMBL30540161 0.78 XDH (0.47) USP8USP7XDHUSP47CNR2
SCHEMBL26635296 0.78 XDH (0.47) USP8USP7XDHUSP47CNR2
SCHEMBL30540241 0.75 XDH (0.51) XDHCNR2ALDH1A1TDP1ERN1

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-2023208151-A1 USP INHIBITOR, PREPARATION METHOD THEREFOR, AND APPLICATION 北京华森英诺生物科技有限公司 2023-11-02 WO disclosed
CN-116621778-A USP inhibitor, preparation method and application thereof 北京华森英诺生物科技有限公司 2023-08-22 CN disclosed