SCHEMBL30220460

SCHEMBL30220460

COc1ccc2cc(-c3nc(-c4ccc([S+](C)[O-])cc4)[nH]c3-c3ccncc3)ccc2c1

nearest known ligand 0.70

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
TEK Q02763 17/20 0.70
MAPK13 O15264 3/20 0.60
MAPK12 P53778 3/20 0.60
MAPK11 Q15759 3/20 0.60
MAPK14 Q16539 3/20 0.60
RAF1 P04049 2/20 0.60
ALOX5 P09917 1/20 0.58
GCGR P47871 1/20 0.58

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
SCHEMBL30220453 1.00 TEK (0.70) TEKMAPK13MAPK12MAPK11MAPK14
SCHEMBL17835458 1.00 TEK (0.70) TEKMAPK13MAPK12MAPK11MAPK14
SCHEMBL17847351 0.96 TEK (0.64) TEKMAPK13MAPK12MAPK11MAPK14
SCHEMBL4552055 0.90 MAPK14 (0.76) TEKMAPK13MAPK12MAPK11MAPK14
SCHEMBL6926311 0.88 TEK (0.65) TEKMAPK13MAPK12MAPK11MAPK14
SCHEMBL30553015 0.83 TEK (1.00) TEKMAPK13MAPK12MAPK11MAPK14
SCHEMBL6447875 0.80 MAPK13 (0.72) MAPK13MAPK12MAPK11MAPK14RAF1
SCHEMBL23887914 0.80 TEK (0.79) TEKMAPK13MAPK12MAPK11MAPK14
SCHEMBL155371 0.80 ALOX5 (0.62) MAPK13MAPK12MAPK11MAPK14RAF1
SCHEMBL15606600 0.80 MAPK14 (0.71) MAPK13MAPK12MAPK11MAPK14RAF1

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-4126047-A1 METHODS FOR TREATING ALZHEIMER'S DISEASE Jefferies, Wilfred (CA) 2023-02-08 EP disclosed