SCHEMBL21779849

SCHEMBL21779849

O=C(NI)c1ccccc1F

nearest known ligand 0.64

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.64
MEN1 O00255 2/20 0.62
KMT2A Q03164 2/20 0.62
TDP1 Q9NUW8 1/20 0.62
NPC1 O15118 4/20 0.60
ALDH1A1 P00352 3/20 0.60
HPGD P15428 2/20 0.60
MAPT P10636 1/20 0.60
CES2 O00748 1/20 0.58
CES1 P23141 1/20 0.58
LMNA P02545 1/20 0.56
ALOX15 P16050 1/20 0.54
RAB9A P51151 3/20 0.53
SMN1; SMN2 Q16637 2/20 0.53
HTT P42858 1/20 0.53
KAT6A Q92794 2/20 0.50

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
SCHEMBL6450415 0.82 ALDH1A1 (0.70) GAAMEN1KMT2ATDP1NPC1
SCHEMBL298653 0.80 GAA (0.67) GAAMEN1KMT2ATDP1NPC1
SCHEMBL29382881 0.80 GAA (0.67) GAAMEN1KMT2ATDP1NPC1
SCHEMBL28190255 0.78 GAA (0.64) GAAMEN1KMT2ATDP1NPC1
SCHEMBL540770 0.78 GAA (0.64) GAAMEN1KMT2ATDP1NPC1
SCHEMBL255025 0.78 GAA (1.00) GAAMEN1KMT2ATDP1NPC1
SCHEMBL994062 0.78 GAA (0.64) GAAMEN1KMT2ATDP1NPC1
SCHEMBL2222719 0.78 GAA (0.64) GAAMEN1KMT2ATDP1NPC1
Hydrochloric Acid SCHEMBL28973500 0.78 GAA (0.64) GAAMEN1KMT2ATDP1NPC1
Hydrochloric Acid SCHEMBL30605742 0.77 GAA (0.62) GAAMEN1KMT2ATDP1NPC1

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-3616753-A1 COMPOUNDS FOR MODULATING ADENOSINE A2B RECEPTOR AND ADENOSINE A2A RECEPTOR Corvus Pharmaceuticals, Inc. (US) 2020-03-04 EP disclosed