SCHEMBL31554491

SCHEMBL31554491

COC(=O)CC(=O)Nc1ccc(C(F)(F)F)cc1C

nearest known ligand 0.51

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.51
MEN1 O00255 3/20 0.51
SLC1A3 P43003 1/20 0.48
SLC1A2 P43004 1/20 0.48
SLC1A1 P43005 1/20 0.48
SMN1; SMN2 Q16637 2/20 0.45
ALDH1A1 P00352 4/20 0.44
HTT P42858 3/20 0.44
CYP1A2 P05177 3/20 0.44
CYP2C19 P33261 3/20 0.44
CYP3A4 P08684 1/20 0.44
GAA P10253 1/20 0.44
CYP2C9 P11712 1/20 0.44
KDM4E B2RXH2 2/20 0.43
CYP2D6 P10635 1/20 0.43
HPGD P15428 1/20 0.43
MAPT P10636 2/20 0.43
RAB9A P51151 1/20 0.43
TNIK Q9UKE5 1/20 0.42

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
SCHEMBL10628943 0.86 ACHE (0.53) KMT2AMEN1ALDH1A1CYP1A2CYP2C19
SCHEMBL25037265 0.82 ALDH1A1 (0.67) KMT2AMEN1SLC1A3SLC1A2SLC1A1
SCHEMBL30037605 0.82 MEN1 (0.50) KMT2AMEN1SLC1A3SLC1A2SLC1A1
SCHEMBL30965893 0.82 ALDH1A1 (0.67) KMT2AMEN1SLC1A3SLC1A2SLC1A1
SCHEMBL25036878 0.82 MEN1 (0.50) KMT2AMEN1SLC1A3SLC1A2SLC1A1
SCHEMBL30038796 0.82 MEN1 (0.50) KMT2AMEN1SLC1A3SLC1A2SLC1A1
SCHEMBL25037416 0.82 MEN1 (0.50) KMT2AMEN1SLC1A3SLC1A2SLC1A1
SCHEMBL2432349 0.79 GAA (0.51) KMT2AMEN1SLC1A3SLC1A2SLC1A1
SCHEMBL20680256 0.79 MEN1 (0.54) KMT2AMEN1SMN1; SMN2ALDH1A1HTT
SCHEMBL10628983 0.79 ALDH1A1 (0.57) KMT2AMEN1SMN1; SMN2ALDH1A1HTT

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-2025096463-A1 PLK4 MODULATORS VIBLIOME THERAPEUTICS, LLC (US) 2025-05-08 WO disclosed