SCHEMBL26635161

SCHEMBL26635161

O=Cc1cc(Cl)ccc1-c1cnc(C(F)(F)F)nc1

nearest known ligand 0.46

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
XDH P47989 1/20 0.46
ERN1 O75460 7/20 0.40
ALOX5AP P20292 1/20 0.39
FEN1 P39748 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
ACLY P53396 2/20 0.36
ALDH1A1 P00352 2/20 0.33
L3MBTL1 Q9Y468 1/20 0.32
PDK2 Q15119 1/20 0.32
P2RX7 Q99572 1/20 0.31
MAPT P10636 1/20 0.31
CNR2 P34972 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
SCHEMBL30540244 1.00 XDH (0.46) XDHERN1ALOX5APFEN1TDP1
SCHEMBL30540236 0.85 ALOX5AP (0.43) ERN1ALOX5APFEN1ALDH1A1
SCHEMBL26635226 0.85 ALOX5AP (0.43) ERN1ALOX5APFEN1ALDH1A1
SCHEMBL30540206 0.84 ERN1 (0.41) XDHERN1ALOX5APFEN1ACLY
SCHEMBL30540254 0.84 FEN1 (0.54) ALOX5APFEN1ALDH1A1L3MBTL1MAPT
SCHEMBL26635272 0.84 ERN1 (0.41) XDHERN1ALOX5APFEN1ACLY
SCHEMBL26635214 0.84 FEN1 (0.54) ALOX5APFEN1ALDH1A1L3MBTL1MAPT
SCHEMBL30540281 0.83 XDH (0.49) XDHERN1ALOX5APFEN1TDP1
SCHEMBL26635302 0.83 XDH (0.49) XDHERN1ALOX5APFEN1TDP1
SCHEMBL30540241 0.83 XDH (0.51) XDHERN1ALOX5APFEN1TDP1

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