SCHEMBL29937880

SCHEMBL29937880

O=C(F)Cn1nnc2ccccc21

nearest known ligand 0.73

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
GAA P10253 12/20 0.67
MGAM O43451 10/20 0.67
AMY1A P0DUB6 10/20 0.67
SI P14410 10/20 0.67
MGAM2 Q2M2H8 10/20 0.67
RAB9A P51151 7/20 0.67
NPC1 O15118 5/20 0.60
SMN1; SMN2 Q16637 3/20 0.60
CYP2C9 P11712 1/20 0.60
CYP2C19 P33261 1/20 0.60
EGLN3 Q9H6Z9 1/20 0.59
MEN1 O00255 1/20 0.58
KMT2A Q03164 1/20 0.58
HSD17B10 Q99714 1/20 0.58
SLC9A1 P19634 1/20 0.56
TP53 P04637 1/20 0.56

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
SCHEMBL361654 0.84 GAA (0.73) GAAMGAMAMY1ASIMGAM2
SCHEMBL29625506 0.84 GAA (0.73) GAAMGAMAMY1ASIMGAM2
SCHEMBL2070662 0.83 GAA (0.67) GAAMGAMAMY1ASIMGAM2
SCHEMBL1689837 0.83 GAA (0.67) GAAMGAMAMY1ASIMGAM2
Hydrochloric Acid SCHEMBL1371916 0.83 GAA (0.71) GAAMGAMAMY1ASIMGAM2
SCHEMBL11524883 0.83 GAA (0.67) GAAMGAMAMY1ASIMGAM2
SCHEMBL16286769 0.83 GAA (0.67) GAAMGAMAMY1ASIMGAM2
SCHEMBL17895674 0.80 GAA (0.63) GAAMGAMAMY1ASIMGAM2
SCHEMBL12093975 0.80 GAA (1.00) GAAMGAMAMY1ASIMGAM2
SCHEMBL20109729 0.80 GAA (0.63) GAAMGAMAMY1ASIMGAM2

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-2022226203-A1 PROTEASE INHIBITORS AND METHODS OF USE THE CLEVELAND CLINIC FOUNDATION (US) 2022-10-27 WO disclosed