SCHEMBL31422809

SCHEMBL31422809

O=C(O)c1nnc(-c2ccc(C(F)(F)F)cc2)[nH]c1=O

nearest known ligand 0.54

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
COMT P21964 1/20 0.54
TNKS2 Q9H2K2 11/20 0.51
TNKS O95271 10/20 0.51
WNT3A P56704 6/20 0.51
PARP1 P09874 6/20 0.47
PARP2 Q9UGN5 6/20 0.44
PARP14 Q460N5 1/20 0.42
PARP4 Q9UKK3 1/20 0.42
AXIN2 Q9Y2T1 1/20 0.42
PARP3 Q9Y6F1 1/20 0.42
RNASEH1 O60930 1/20 0.42
ERCC1 P07992 1/20 0.42
FEN1 P39748 1/20 0.42
ERCC4 Q92889 1/20 0.42
ATM Q13315 1/20 0.42
SCN2A Q99250 1/20 0.41

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
SCHEMBL3586816 0.75 COMT (0.68) COMTTNKS2TNKSWNT3APARP1
SCHEMBL6631782 0.75 PIN1 (0.67) COMTTNKS2TNKSWNT3APARP1
SCHEMBL28158003 0.73 PIN1 (0.71) TNKS2TNKSWNT3APARP1PARP2
SCHEMBL25259225 0.71 PDE2A (0.44) COMTTNKS2TNKSWNT3APARP1
SCHEMBL7992002 0.71 MAPK13 (0.60) TNKS2TNKSWNT3APARP1RNASEH1
SCHEMBL6366542 0.70 MAPK13 (0.59) TNKS2TNKSWNT3APARP1RNASEH1
SCHEMBL7995288 0.70 MAPK13 (0.52) TNKS2TNKSWNT3APARP1
SCHEMBL2433653 0.70 COMT (1.00) COMTTNKS2TNKSWNT3APARP1
SCHEMBL7995390 0.70 MAPK14 (0.48) TNKS2TNKSWNT3APARP1
SCHEMBL7988191 0.70 NPBWR1 (0.53) TNKS2TNKSWNT3APARP1PARP2

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-2025085233-A1 NOVEL DERIVATIVES OF QUINOLINONES, AND COMPOSITIONS AND METHODS THEREOF ENSEM THERAPEUTICS, INC. (US) 2025-04-24 WO disclosed