SCHEMBL31422983

SCHEMBL31422983

NC(=O)c1cc2cccc(C(F)(F)F)c2[nH]c1=O

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HRH4 Q9H3N8 2/20 0.46
PARP1 P09874 4/20 0.44
KDM4E B2RXH2 2/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
MEN1 O00255 1/20 0.41
ALDH1A1 P00352 1/20 0.41
LMNA P02545 1/20 0.41
POLB P06746 1/20 0.41
HPGD P15428 1/20 0.41
HTT P42858 1/20 0.41
KMT2A Q03164 1/20 0.41
DAO P14920 3/20 0.40
DDO Q99489 2/20 0.40
SCN9A Q15858 2/20 0.39
PDPK1 O15530 1/20 0.39
PLK4 O00444 1/20 0.37
CHEK1 O14757 1/20 0.37
AURKA O14965 1/20 0.37
DAPK3 O43293 1/20 0.37
MAP4K4 O95819 1/20 0.37

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
SCHEMBL31423274 0.82 PDPK1 (0.53) PARP1KDM4EALDH1A1DAODDO
SCHEMBL31423242 0.81 JAK2 (0.37) PARP1KDM4ESMN1; SMN2MEN1ALDH1A1
SCHEMBL3418623 0.79 DAO (0.64) HRH4KDM4ESMN1; SMN2MEN1ALDH1A1
SCHEMBL31423096 0.79 LCK (0.48) PARP1KDM4EALDH1A1HPGDDAO
SCHEMBL31422815 0.74 ADORA2A (0.51) HRH4PARP1KDM4EALDH1A1LMNA
SCHEMBL1145047 0.73 HRH4 (0.60) HRH4KDM4ESMN1; SMN2MEN1ALDH1A1
SCHEMBL31422845 0.71 GRIA1 (0.41) PARP1KDM4EALDH1A1POLBFGFR1
SCHEMBL29390425 0.70 DAO (0.58) KDM4ESMN1; SMN2ALDH1A1HPGDDAO
SCHEMBL29537 0.70 DAO (0.58) KDM4ESMN1; SMN2ALDH1A1HPGDDAO
SCHEMBL28330780 0.69 KMT2A (0.46) PARP1KDM4ESMN1; SMN2MEN1ALDH1A1

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