SCHEMBL17174183

SCHEMBL17174183

O=S(=O)(O)Oc1cc2ccc(-c3cccc(-c4ccc5cc(OS(=O)(=O)O)c6cccnc6c5n4)c3)nc2c2ncccc12

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NPC1 O15118 1/20 0.36
▸ KDM4E B2RXH2 1/20 0.36
▸ ALOX12 P18054 1/20 0.36
▸ PDE4A P27815 3/20 0.36
▸ PDE4C Q08493 3/20 0.36
▸ PDE4D Q08499 3/20 0.36
▸ SLC22A6 Q4U2R8 1/20 0.35
▸ METAP2 P50579 1/20 0.34
▸ METAP1 P53582 1/20 0.34
▸ CCR1 P32246 2/20 0.34
▸ CCR8 P51685 2/20 0.34
▸ L3MBTL1 Q9Y468 2/20 0.34
▸ COMT P21964 1/20 0.34
▸ CYP2C9 P11712 1/20 0.34
▸ MEN1 O00255 1/20 0.34
▸ AGTR1 P30556 1/20 0.34
▸ KMT2A Q03164 1/20 0.34
▸ TOP1 P11387 1/20 0.33
▸ ALDH1A1 P00352 1/20 0.33
▸ MAPT P10636 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
SCHEMBL17146652 0.97 KDM4E (0.39) NPC1KDM4EALOX12PDE4APDE4C
SCHEMBL17146631 0.81 COMT (0.48) KDM4EALOX12PDE4APDE4CPDE4D
SCHEMBL17174182 0.81 NPC1 (0.36) NPC1KDM4ECCR1CCR8L3MBTL1
SCHEMBL19287828 0.80 KDM4E (0.43) KDM4EALOX12PDE4APDE4CPDE4D
SCHEMBL17146627 0.79 CCR1 (0.38) NPC1KDM4ECCR1CCR8L3MBTL1
SCHEMBL17178179 0.79 NPC1 (0.35) NPC1KDM4EPDE4APDE4CPDE4D
SCHEMBL17146630 0.79 HIF1A (0.47) KDM4EALOX12PDE4APDE4CPDE4D
SCHEMBL17146647 0.78 SRC (0.39) NPC1KDM4ECCR1CCR8L3MBTL1
SCHEMBL17178182 0.78 TOP1 (0.44) NPC1CCR1CCR8L3MBTL1TOP1
SCHEMBL17174165 0.77 KDM4E (0.44) NPC1KDM4EALOX12METAP2METAP1

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 4 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-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
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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