SCHEMBL16670869

SCHEMBL16670869

Cc1ccc(S(=O)(=O)n2ccc3nc(N(CC(N)=O)C(=O)O)cnc32)cc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 2/20 0.45
VEGFA P15692 1/20 0.38
EGLN1 Q9GZT9 1/20 0.38
CYP2C19 P33261 1/20 0.35
PTGDR2 Q9Y5Y4 1/20 0.35
POLB P06746 1/20 0.34
ALDH3A1 P30838 1/20 0.34
HTT P42858 1/20 0.34
NOD1 Q9Y239 1/20 0.34
SLC1A3 P43003 1/20 0.34
SLC1A2 P43004 1/20 0.34
SLC1A1 P43005 1/20 0.34
ALDH1A1 P00352 2/20 0.34
GAA P10253 1/20 0.34
MAPK1 P28482 1/20 0.34
PTPN11 Q06124 1/20 0.34
PKM P14618 1/20 0.33
KDM4E B2RXH2 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
RAPGEF4 Q8WZA2 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
SCHEMBL19640914 0.89 L3MBTL1 (0.47) L3MBTL1VEGFAEGLN1CYP2C19PTGDR2
SCHEMBL1933800 0.87 L3MBTL1 (0.39) L3MBTL1VEGFAEGLN1POLBALDH3A1
SCHEMBL27873416 0.84 L3MBTL1 (0.46) L3MBTL1VEGFAEGLN1CYP2C19PTGDR2
SCHEMBL4346386 0.84 ALDH1A1 (0.40) L3MBTL1VEGFAEGLN1POLBHTT
SCHEMBL2318675 0.83 L3MBTL1 (0.47) L3MBTL1VEGFAEGLN1CYP2C19PTGDR2
SCHEMBL4357413 0.77 L3MBTL1 (0.50) L3MBTL1CYP2C19POLBALDH3A1HTT
SCHEMBL9990912 0.77 L3MBTL1 (0.36) L3MBTL1VEGFAEGLN1HTTALDH1A1
SCHEMBL9990330 0.76 L3MBTL1 (0.45) L3MBTL1VEGFAEGLN1POLBALDH3A1
SCHEMBL1933942 0.76 L3MBTL1 (0.51) L3MBTL1VEGFAEGLN1CYP2C19PTGDR2
SCHEMBL14794936 0.76 L3MBTL1 (0.39) L3MBTL1VEGFAEGLN1POLBALDH3A1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3060234-A1 JAK1 SELECTIVE INHIBITOR AND USES THEREOF AbbVie Inc. (US) 2016-08-31 EP disclosed
WO-2015061665-A1 JAK1 SELECTIVE INHIBITOR AND USES THEREOF ABBVIE INC. (US) 2015-04-30 WO disclosed