SCHEMBL17178122

SCHEMBL17178122

c1ccc(P(c2ccccc2)c2cc3ccc(-c4cccc(-c5ccc6cc(P(c7ccccc7)c7ccccc7)c7cccnc7c6n5)c4)nc3c3ncccc23)cc1

nearest known ligand 0.39

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ TOP1 P11387 5/20 0.37
▸ PDE4A P27815 3/20 0.36
▸ CCR1 P32246 2/20 0.36
▸ CCR8 P51685 2/20 0.36
▸ L3MBTL1 Q9Y468 2/20 0.36
▸ PDE4C Q08493 2/20 0.36
▸ PDE4D Q08499 2/20 0.36
▸ ALDH1A1 P00352 2/20 0.35
▸ MAPT P10636 1/20 0.35
▸ BRD4 O60885 1/20 0.35
▸ KDM4E B2RXH2 1/20 0.33
▸ GAA P10253 1/20 0.33
▸ PIK3CD O00329 1/20 0.33
▸ PDE10A Q9Y233 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
SCHEMBL17174175 0.96 BRD4 (0.40) TOP1PDE4ACCR1CCR8L3MBTL1
SCHEMBL17174173 0.93 CCR1 (0.49) TOP1PDE4ACCR1CCR8L3MBTL1
SCHEMBL15591716 0.82 CCR1 (0.53) TOP1PDE4ACCR1CCR8L3MBTL1
SCHEMBL17174203 0.81 BRD4 (0.43) TOP1PDE4ACCR1CCR8PDE4C
SCHEMBL21031252 0.78 CCR1 (0.57) TOP1CCR1CCR8L3MBTL1ALDH1A1
SCHEMBL17146667 0.77 L3MBTL1 (0.41) TOP1CCR1CCR8L3MBTL1ALDH1A1
SCHEMBL17146632 0.77 HSP90AA1 (0.46) CCR1CCR8L3MBTL1ALDH1A1MAPT
SCHEMBL17146651 0.77 CCR1 (0.41) TOP1PDE4ACCR1CCR8L3MBTL1
SCHEMBL17174185 0.77 TDP1 (0.46) CCR1CCR8L3MBTL1ALDH1A1MAPT
SCHEMBL17174165 0.77 KDM4E (0.44) CCR1CCR8L3MBTL1ALDH1A1MAPT

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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