SCHEMBL17174141

SCHEMBL17174141

O=S(=O)(O)Oc1cccc(-c2ccc3ccc4ccc(-c5cccc(-c6ccc7ccc8ccc(-c9cccc(OS(=O)(=O)O)c9)nc8c7n6)c5)nc4c3n2)c1

nearest known ligand 0.39

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ GLA P06280 2/20 0.39
▸ GAA P10253 2/20 0.39
▸ MAP4K4 O95819 6/20 0.39
▸ PARP1 P09874 2/20 0.38
▸ CA1 P00915 1/20 0.35
▸ CA2 P00918 1/20 0.35
▸ CA9 Q16790 1/20 0.35
▸ KDM4E B2RXH2 2/20 0.34
▸ ALDH1A1 P00352 2/20 0.34
▸ HPGD P15428 2/20 0.34
▸ MAPT P10636 1/20 0.34
▸ L3MBTL1 Q9Y468 1/20 0.34
▸ GAK O14976 2/20 0.34
▸ PTGS2 P35354 1/20 0.34
▸ ADORA3 P0DMS8 2/20 0.33
▸ ADORA2B P29275 2/20 0.33
▸ ADORA1 P30542 2/20 0.33
▸ SDHB P21912 1/20 0.33
▸ ADORA2A P29274 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
SCHEMBL17146624 0.97 GLA (0.38) GLAGAAMAP4K4PARP1CA1
SCHEMBL19287892 0.87 PARP1 (0.45) GLAGAAPARP1CA1CA2
SCHEMBL19287828 0.86 KDM4E (0.43) CA1CA2CA9KDM4EALDH1A1
SCHEMBL17174138 0.85 MAPT (0.41) GLAGAAMAP4K4PARP1ALDH1A1
SCHEMBL17146660 0.83 PARP1 (0.41) GLAGAAPARP1CA1CA2
SCHEMBL19287852 0.82 GLA (0.42) GLAGAAPARP1KDM4EALDH1A1
SCHEMBL19287854 0.81 KDM4E (0.44) CA1CA2CA9KDM4EALDH1A1
SCHEMBL17178116 0.77 TDP1 (0.43) GAAMAP4K4PARP1KDM4EALDH1A1
SCHEMBL17174218 0.77 KDM4E (0.42) GAAKDM4EALDH1A1MAPTL3MBTL1
SCHEMBL17174134 0.77 SRC (0.45) MAP4K4PARP1GAK

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
US-9748593-B2 Polymer electrolyte composition, and polymer electrolyte membrane, membrane electrode complex and solid polymer-type fuel cell each produced using same TORAY INDUSTRIES, INC. (JP) 2017-08-29 — — US disclosed
US-20150295262-A1 POLYMER ELECTROLYTE COMPOSITION, AND POLYMER ELECTROLYTE MEMBRANE, MEMBRANE ELECTRODE COMPLEX AND SOLID POLYMER-TYPE FUEL CELL EACH PRODUCED USING SAME TORAY INDUSTRIES, INC. (JP) 2015-10-15 — — US disclosed
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