SCHEMBL17178147

SCHEMBL17178147

O=[PH](O)Oc1ccc(-c2ccc3ccc4ccc(-c5cc(O[PH](=O)O)cc(-c6ccc7ccc8ccc(-c9ccc(O[PH](=O)O)cc9)nc8c7n6)c5)nc4c3n2)cc1

nearest known ligand 0.39

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ PARP1 P09874 3/20 0.39
▸ KDM4E B2RXH2 1/20 0.32
▸ NPC1 O15118 1/20 0.32
▸ ALDH1A1 P00352 1/20 0.32
▸ NFKB1 P19838 1/20 0.32
▸ RAB9A P51151 1/20 0.32
▸ NFKB2 Q00653 1/20 0.32
▸ RELA Q04206 1/20 0.32
▸ SMN1; SMN2 Q16637 1/20 0.32
▸ ESR1 P03372 1/20 0.31
▸ ESR2 Q92731 1/20 0.31

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
SCHEMBL17178145 0.95 PARP1 (0.41) PARP1KDM4ENPC1ALDH1A1NFKB1
SCHEMBL17178146 0.90 PARP1 (0.44) PARP1KDM4ENPC1ALDH1A1NFKB1
SCHEMBL17178143 0.87 PARP1 (0.45) PARP1KDM4ENPC1ALDH1A1NFKB1
SCHEMBL17146604 0.83 LMNA (0.42) PARP1KDM4EALDH1A1NFKB1SMN1; SMN2
SCHEMBL17178140 0.83 LMNA (0.42) PARP1KDM4EALDH1A1NFKB1SMN1; SMN2
SCHEMBL17146609 0.80 LMNA (0.39) PARP1KDM4EALDH1A1NFKB1SMN1; SMN2
SCHEMBL17146606 0.79 PARP1 (0.39) PARP1KDM4ENPC1ALDH1A1NFKB1
SCHEMBL17178157 0.76 PARP1 (0.33) PARP1
SCHEMBL17178144 0.75 MAP4K4 (0.34) PARP1
SCHEMBL19287852 0.73 GLA (0.42) PARP1KDM4ENPC1ALDH1A1NFKB1

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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