SCHEMBL31565670

SCHEMBL31565670

CN(C)c1ccc(F)cc1C(N)=O

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IKBKB O14920 3/20 0.49
KEAP1 Q14145 1/20 0.43
CES2 O00748 2/20 0.42
CES1 P23141 2/20 0.42
ALDH1A1 P00352 3/20 0.41
GAA P10253 2/20 0.41
MAPT P10636 2/20 0.41
TP53 P04637 1/20 0.41
TSHR P16473 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
MAPK1 P28482 1/20 0.41
PARP1 P09874 5/20 0.40
DGAT1 O75907 1/20 0.38
HTT P42858 1/20 0.38
MEN1 O00255 1/20 0.36
JAK2 O60674 1/20 0.36
EIF2AK2 P19525 1/20 0.36
KMT2A Q03164 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
HDAC6 Q9UBN7 1/20 0.36

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
SCHEMBL11170036 0.83 ALDH1A1 (0.56) IKBKBKEAP1CES2CES1ALDH1A1
SCHEMBL29793691 0.79 MAPT (0.46) IKBKBALDH1A1GAAMAPTTP53
SCHEMBL14048151 0.79 ALDH1A1 (0.42) IKBKBALDH1A1GAAMAPTTP53
SCHEMBL15490163 0.79 MAPT (0.46) IKBKBALDH1A1GAAMAPTTP53
Hydrochloric Acid SCHEMBL15486878 0.78 MAPT (0.44) IKBKBALDH1A1GAAMAPTTP53
SCHEMBL12505382 0.78 GAA (0.54) ALDH1A1GAAMAPTTP53TSHR
SCHEMBL7452353 0.76 KMT2A (0.44) IKBKBKEAP1CES2CES1ALDH1A1
SCHEMBL7453487 0.76 KMT2A (0.44) IKBKBKEAP1CES2CES1ALDH1A1
SCHEMBL29463969 0.76 CES2 (0.52) IKBKBKEAP1CES2CES1ALDH1A1
SCHEMBL20529167 0.75 CYP2A6 (0.41) ALDH1A1GAAMAPTTP53TSHR

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-2025078808-A1 NOVEL COMPOUNDS SITRYX THERAPEUTICS LIMITED (GB) 2025-04-17 WO disclosed