SCHEMBL31445147

SCHEMBL31445147

O=C(O)c1nnccc1C(F)(F)F

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMO O15229 4/20 0.36
DAO P14920 1/20 0.36
ASPH Q12797 3/20 0.36
HCAR2 Q8TDS4 1/20 0.35
KDM4E B2RXH2 2/20 0.35
KDM8 Q8N371 2/20 0.35
SSTR4 P31391 1/20 0.34
ALDH1A1 P00352 3/20 0.33
HPGD P15428 1/20 0.33
CYP3A4 P08684 1/20 0.33
MAPT P10636 1/20 0.33
ALOX15 P16050 1/20 0.33
TSHR P16473 1/20 0.33
BLM P54132 1/20 0.33
AGER Q15109 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
GAA P10253 1/20 0.33
PTGES O14684 1/20 0.33
CNR2 P34972 1/20 0.33

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
SCHEMBL34471563 0.83 KMO (0.35) KMODAOASPHHCAR2KDM4E
SCHEMBL3971849 0.83 KIF11 (0.36) SSTR4CNR2
SCHEMBL16346446 0.83 KMT2A (0.36) SSTR4L3MBTL1CNR2
SCHEMBL34471556 0.80 DHODH (0.43) KMOKDM4EALDH1A1L3MBTL1GAA
SCHEMBL3971002 0.79 GSK3B (0.42) SSTR4CNR2
SCHEMBL29008885 0.75 KDM4E (0.44) KMOASPHHCAR2KDM4EKDM8
SCHEMBL20928645 0.74 MAPT (0.40) ASPHHCAR2KDM4EKDM8ALDH1A1
SCHEMBL286833 0.73 KDM4E (0.55) KMOASPHKDM4EKDM8ALDH1A1
SCHEMBL17665467 0.73 RXRA (0.41) SSTR4NAPRT
SCHEMBL30427548 0.73 RXRA (0.41) SSTR4NAPRT

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-2025072539-A1 AMINO ACID COMPOUNDS WITH NITROGEN LINKERS AND USES THEREOF PLIANT THERAPEUTICS, INC. (US) 2025-04-03 WO disclosed