SCHEMBL17174178

SCHEMBL17174178

O=P(c1ccccc1)(c1ccccc1)c1cc2ccc(-c3cccc(-c4ccc5ccc6cccnc6c5n4)c3)nc2c2ncccc12

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TOP1 P11387 4/20 0.45
▸ CCR1 P32246 5/20 0.37
▸ CCR8 P51685 5/20 0.37
▸ L3MBTL1 Q9Y468 3/20 0.37
▸ PDE4A P27815 2/20 0.37
▸ PDE4C Q08493 1/20 0.37
▸ PDE4D Q08499 1/20 0.37
▸ MAPT P10636 2/20 0.36
▸ ALDH1A1 P00352 2/20 0.36
▸ PARP1 P09874 1/20 0.36
▸ CCR5 P51681 3/20 0.36
▸ KDM4E B2RXH2 1/20 0.36
▸ GMNN O75496 1/20 0.36
▸ LMNA P02545 1/20 0.36
▸ TP53 P04637 1/20 0.36
▸ HSP90AA1 P07900 1/20 0.36
▸ MMP2 P08253 1/20 0.36
▸ CYP3A4 P08684 1/20 0.36
▸ CYP2D6 P10635 1/20 0.36
▸ MMP9 P14780 1/20 0.36

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
SCHEMBL17174177 0.90 CCR1 (0.46) TOP1CCR1CCR8L3MBTL1PDE4A
SCHEMBL17174172 0.85 CCR1 (0.40) CCR1CCR8L3MBTL1PDE4APDE4C
SCHEMBL17174199 0.85 KDM4E (0.40) TOP1CCR1CCR8PDE4APDE4C
SCHEMBL29114283 0.85 TOP1 (0.43) TOP1CCR1CCR8MAPTPARP1
SCHEMBL30627012 0.85 TOP1 (0.43) TOP1CCR1CCR8MAPTPARP1
SCHEMBL17174176 0.82 CCR1 (0.40) CCR1CCR8L3MBTL1PDE4AMAPT
SCHEMBL18101989 0.82 KDM4E (0.41) TOP1CCR1CCR8L3MBTL1MAPT
SCHEMBL17451977 0.82 TOP1 (0.44) TOP1CCR1CCR8L3MBTL1MAPT
SCHEMBL17174206 0.81 CCR1 (0.43) TOP1CCR1CCR8PDE4APDE4C
SCHEMBL20108866 0.80 TOP1 (0.42) TOP1CCR1CCR8MAPTPARP1

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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