SCHEMBL17178164

SCHEMBL17178164

O=[PH](O)OOc1cccc(-c2ccc3ccc4ccc(-c5cccc(-c6ccc7ccc8ccc(-c9cccc(OO[PH](=O)O)c9)nc8c7n6)c5)nc4c3n2)c1

nearest known ligand 0.37

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ MAP4K4 O95819 6/20 0.37
▸ PARP1 P09874 2/20 0.37
▸ GAK O14976 2/20 0.34
▸ ADORA3 P0DMS8 2/20 0.32
▸ ADORA2B P29275 2/20 0.32
▸ ADORA1 P30542 2/20 0.32
▸ ADORA2A P29274 1/20 0.32
▸ CARM1 Q86X55 1/20 0.32
▸ ALDH1A1 P00352 2/20 0.32
▸ HPGD P15428 2/20 0.32
▸ SMN1; SMN2 Q16637 2/20 0.32
▸ NPC1 O15118 1/20 0.32
▸ HTT P42858 1/20 0.32
▸ RAB9A P51151 1/20 0.32
▸ HSD17B10 Q99714 1/20 0.32
▸ MAPT P10636 2/20 0.31
▸ KDM4E B2RXH2 1/20 0.31
▸ L3MBTL1 Q9Y468 1/20 0.31
▸ DHODH Q02127 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
SCHEMBL17178162 0.97 MAP4K4 (0.36) MAP4K4PARP1GAKADORA3ADORA2B
SCHEMBL17146606 0.84 PARP1 (0.39) PARP1ALDH1A1SMN1; SMN2NPC1RAB9A
SCHEMBL17178158 0.83 PARP1 (0.37) PARP1
SCHEMBL17178146 0.79 PARP1 (0.44) MAP4K4PARP1ALDH1A1HPGDSMN1; SMN2
SCHEMBL17178144 0.78 MAP4K4 (0.34) MAP4K4PARP1GAK
SCHEMBL17178143 0.77 PARP1 (0.45) PARP1ADORA3ALDH1A1SMN1; SMN2NPC1
SCHEMBL17178157 0.76 PARP1 (0.33) PARP1
SCHEMBL17146609 0.76 LMNA (0.39) MAP4K4PARP1ALDH1A1SMN1; SMN2HTT
SCHEMBL17178179 0.75 NPC1 (0.35) MAP4K4ALDH1A1NPC1HTTRAB9A
SCHEMBL17178172 0.75 CCR1 (0.34) ALDH1A1SMN1; SMN2HTTMAPTKDM4E

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
Send feedback