SCHEMBL18534282

SCHEMBL18534282

O=C(O)CCc1cncc([PH](O)(O)O)n1

nearest known ligand 0.42

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 3/20 0.37
CHRM1 P11229 1/20 0.36
KEAP1 Q14145 1/20 0.35
P4HTM Q9NXG6 1/20 0.35
TBXAS1 P24557 3/20 0.35
SLC22A12 Q96S37 1/20 0.35
HDAC6 Q9UBN7 1/20 0.34
PRKAG1 P54619 1/20 0.34
PRKAA2 P54646 1/20 0.34
PRKAA1 Q13131 1/20 0.34
PRKAB1 Q9Y478 1/20 0.34
PARP1 P09874 1/20 0.34
PARP2 Q9UGN5 1/20 0.34
CTSK P43235 1/20 0.34
NPSR1 Q6W5P4 1/20 0.33
CCNC P24863 1/20 0.33
CDK8 P49336 1/20 0.33

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
SCHEMBL1648472 0.69 KDM4E (0.45) FFAR1P4HTMTBXAS1HDAC6
SCHEMBL2113281 0.69 FFAR1 (0.53) FFAR1KEAP1P4HTMTBXAS1NPSR1
SCHEMBL175595 0.68 FFAR1 (0.41) FFAR1KEAP1P4HTMTBXAS1NPSR1
SCHEMBL6783633 0.66 KEAP1 (0.52) FFAR1CHRM1KEAP1HDAC6PARP1
SCHEMBL5709396 0.64 PDE10A (0.67) FFAR1CHRM1KEAP1HDAC6
SCHEMBL16680827 0.63 MAP4K4 (0.40) FFAR1KEAP1P4HTM
SCHEMBL29009974 0.63 FFAR1 (0.49) FFAR1KEAP1P4HTMTBXAS1NPSR1
SCHEMBL25404663 0.62 CHRM1 (0.45) FFAR1CHRM1KEAP1TBXAS1HDAC6
SCHEMBL2153786 0.62 TBXAS1 (0.39) FFAR1CHRM1KEAP1TBXAS1HDAC6
SCHEMBL29605234 0.62 KEAP1 (0.42) FFAR1KEAP1P4HTMTBXAS1HDAC6

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-2976346-B1 PHOSPHOHISTIDINE AND PHOSPHOTYROSINE ANALOGUES UNIV SHEFFIELD (GB) 2017-02-22 EP disclosed