SCHEMBL17174143

SCHEMBL17174143

O=P(O)(O)Oc1cccc(-c2ccc3ccc4ccc(-c5cc(OP(=O)(O)O)cc(-c6ccc7ccc8ccc(-c9cccc(OP(=O)(O)O)c9)nc8c7n6)c5)nc4c3n2)c1

nearest known ligand 0.43

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ SRC P12931 3/20 0.43
▸ INPPL1 O15357 4/20 0.41
▸ INPP5A Q14642 3/20 0.41
▸ MAP4K4 O95819 4/20 0.37
▸ PARP1 P09874 2/20 0.37
▸ GPR84 Q9NQS5 1/20 0.35
▸ PDE5A O76074 1/20 0.35
▸ GAK O14976 1/20 0.35
▸ GGPS1 O95749 1/20 0.35
▸ FBP1 P09467 1/20 0.33
▸ PLK1 P53350 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
SCHEMBL17174134 0.97 SRC (0.45) SRCINPPL1INPP5AMAP4K4PARP1
SCHEMBL17174129 0.86 SRC (0.46) SRCINPPL1INPP5APARP1GPR84
SCHEMBL17174128 0.82 PARP1 (0.54) MAP4K4PARP1
SCHEMBL17174208 0.79 EGLN1 (0.44) PARP1
SCHEMBL17174136 0.77 PARP1 (0.49) PARP1
SCHEMBL17178155 0.77 P2RX3 (0.45) MAP4K4PARP1
SCHEMBL17146624 0.75 GLA (0.38) MAP4K4PARP1GAK
SCHEMBL17174141 0.74 GLA (0.39) MAP4K4PARP1GAK
SCHEMBL17174108 0.74 FBP1 (0.44) MAP4K4PARP1FBP1
SCHEMBL17178156 0.73 MAP4K4 (0.46) MAP4K4PARP1

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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