SCHEMBL17178162

SCHEMBL17178162

O=[PH](O)OOc1cccc(-c2ccc3ccc4ccc(-c5cc(OO[PH](=O)O)cc(-c6ccc7ccc8ccc(-c9cccc(OO[PH](=O)O)c9)nc8c7n6)c5)nc4c3n2)c1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAP4K4 O95819 6/20 0.36
▸ PARP1 P09874 2/20 0.35
▸ GAK O14976 2/20 0.33
▸ CLK2 P49760 2/20 0.31
▸ CLK3 P49761 2/20 0.31
▸ DYRK1A Q13627 2/20 0.31
▸ ADORA3 P0DMS8 2/20 0.31
▸ ADORA2B P29275 2/20 0.31
▸ ADORA1 P30542 2/20 0.31
▸ ADORA2A P29274 1/20 0.31
▸ CARM1 Q86X55 1/20 0.31
▸ ALDH1A1 P00352 2/20 0.30
▸ HPGD P15428 2/20 0.30
▸ NPC1 O15118 1/20 0.30
▸ HTT P42858 1/20 0.30
▸ RAB9A P51151 1/20 0.30
▸ SMN1; SMN2 Q16637 1/20 0.30
▸ HSD17B10 Q99714 1/20 0.30
▸ P2RX3 P56373 1/20 0.30
▸ KDM4E B2RXH2 1/20 0.30

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
SCHEMBL17178164 0.97 MAP4K4 (0.37) MAP4K4PARP1GAKADORA3ADORA2B
SCHEMBL17146606 0.87 PARP1 (0.39) PARP1ALDH1A1NPC1RAB9ASMN1; SMN2
SCHEMBL17178158 0.81 PARP1 (0.37) PARP1
SCHEMBL17178157 0.79 PARP1 (0.33) PARP1
SCHEMBL17178172 0.78 CCR1 (0.34) CLK2CLK3DYRK1AALDH1A1HTT
SCHEMBL17178146 0.77 PARP1 (0.44) MAP4K4PARP1ALDH1A1HPGDNPC1
SCHEMBL17146609 0.76 LMNA (0.39) MAP4K4PARP1CLK2CLK3DYRK1A
SCHEMBL17178144 0.76 MAP4K4 (0.34) MAP4K4PARP1GAK
SCHEMBL17178143 0.75 PARP1 (0.45) PARP1ADORA3ALDH1A1NPC1RAB9A
SCHEMBL17178145 0.74 PARP1 (0.41) PARP1ALDH1A1NPC1RAB9ASMN1; SMN2

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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