SCHEMBL31056338

SCHEMBL31056338

Nc1ncc(F)cc1C=O

nearest known ligand 0.39

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ERN1 O75460 2/20 0.39
MAP4K4 O95819 2/20 0.34
AGBL2 Q5U5Z8 1/20 0.33
CHEK2 O96017 1/20 0.32
HCAR2 Q8TDS4 1/20 0.31
ALOX5AP P20292 1/20 0.31
FEN1 P39748 1/20 0.31
HTT P42858 1/20 0.30
KMT2A Q03164 1/20 0.30
NOS3 P29474 1/20 0.30
NOS1 P29475 1/20 0.30
NOS2 P35228 1/20 0.30
ALDH1A1 P00352 1/20 0.30
LMNA P02545 1/20 0.30
VRK1 Q99986 1/20 0.30

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
SCHEMBL124004 1.00 ERN1 (0.39) ERN1MAP4K4AGBL2CHEK2HCAR2
SCHEMBL2123346 0.79 MAP4K4 (0.31) MAP4K4AGBL2HTTKMT2ANOS3
SCHEMBL29954200 0.78 ERN1 (0.42) ERN1AGBL2HCAR2ALDH1A1
SCHEMBL2561425 0.78 MAP4K4 (0.51) ERN1MAP4K4CHEK2ALDH1A1
SCHEMBL29955302 0.76 ERN1 (0.34) ERN1MAP4K4ALOX5APFEN1VRK1
SCHEMBL20874412 0.76 MIF (0.44) MAP4K4AGBL2HCAR2HTTALDH1A1
SCHEMBL2556015 0.76 CHEK2 (0.52) MAP4K4CHEK2KMT2A
SCHEMBL24609208 0.75 HTT (0.30) HTTKMT2ANOS3NOS1NOS2
SCHEMBL124567 0.75 KMT2A (0.54) ERN1MAP4K4HTTKMT2AALDH1A1
SCHEMBL247814 0.75 ERN1 (0.39) ERN1HTTKMT2ANOS3NOS1

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-2024178390-A1 COVALENT MODIFIERS OF AKT1 AND USES THEREOF TERREMOTO BIOSCIENCES, INC. (US) 2024-08-29 WO disclosed