SCHEMBL6432616

SCHEMBL6432616

O=C(O)C(O)(I)Cc1ccc(F)cc1

nearest known ligand 0.42

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CTBP2 P56545 1/20 0.41
FFAR1 O14842 1/20 0.39
HTT P42858 1/20 0.39
GAA P10253 1/20 0.38
GRM2 Q14416 1/20 0.38
GRM3 Q14832 1/20 0.38
RAB9A P51151 2/20 0.38
ALDH1A1 P00352 1/20 0.38
HPGD P15428 1/20 0.38
NR4A2 P43354 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.37
HIF1A Q16665 1/20 0.37
BLM P54132 1/20 0.37
LMNA P02545 1/20 0.37
NPC1 O15118 1/20 0.37
POLB P06746 1/20 0.37
MAOB P27338 1/20 0.37
KDM4E B2RXH2 1/20 0.37
KIF11 P52732 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
SCHEMBL20816048 0.82 SMN1; SMN2 (0.55) ALDH1A1SMN1; SMN2HIF1A
SCHEMBL28417924 0.80 CTBP2 (0.43) CTBP2FFAR1HTTGAAGRM2
SCHEMBL27513458 0.78 GAA (0.43) CTBP2FFAR1HTTGAAGRM2
SCHEMBL4764876 0.77 HPGD (0.45) CTBP2FFAR1HTTGAAGRM2
SCHEMBL28553221 0.76 CTBP2 (0.43) CTBP2FFAR1HTTGAAGRM2
SCHEMBL23430239 0.74 HPGD (0.46) CTBP2FFAR1HTTGAAHPGD
SCHEMBL5390491 0.74 SMN1; SMN2 (0.68) CTBP2FFAR1HTTGAAGRM2
SCHEMBL5394972 0.74 PPARG (0.49) CTBP2FFAR1HTTGAAHPGD
SCHEMBL8740577 0.74 KDM4E (0.45) CTBP2FFAR1HTTALDH1A1HPGD
SCHEMBL9079628 0.72 BLM (0.71) CTBP2GAAGRM2GRM3ALDH1A1

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
EP-1329457-B1 Antipicornaviral compounds, their preparation and use AGOURON PHARMA (US) 2005-11-02 EP disclosed