SCHEMBL18486709

SCHEMBL18486709

CCc1cccc([PH](=O)O)c1-c1ccccc1N

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDK2 Q15119 1/20 0.38
ALDH1A1 P00352 4/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
GABRA1 P14867 2/20 0.35
GABRB2 P47870 2/20 0.35
PTPRC P08575 1/20 0.34
ADORA2A P29274 1/20 0.34
GCGR P47871 1/20 0.33
ANPEP P15144 1/20 0.33
DPP4 P27487 1/20 0.33
PTPN5 P54829 1/20 0.32
IDO1 P14902 1/20 0.32
MEN1 O00255 3/20 0.32
KMT2A Q03164 3/20 0.32
NPC1 O15118 1/20 0.32
RAB9A P51151 1/20 0.32
HSD17B10 Q99714 2/20 0.32
POLB P06746 1/20 0.32
KDM4E B2RXH2 1/20 0.31
MAPT P10636 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
SCHEMBL18486553 0.83 MYC (0.41) PDK2ALDH1A1L3MBTL1PTPRCADORA2A
SCHEMBL779597 0.82 PDK2 (0.41) PDK2ALDH1A1L3MBTL1GABRA1GABRB2
SCHEMBL18037935 0.75 ALDH1A1 (0.54) ALDH1A1L3MBTL1PTPRCADORA2AIDO1
SCHEMBL575314 0.74 GABRA1 (0.44) ALDH1A1L3MBTL1GABRA1GABRB2POLB
SCHEMBL11550868 0.70 ALDH1A1 (0.59) ALDH1A1L3MBTL1GABRA1GABRB2IDO1
SCHEMBL1437974 0.70 CYP3A4 (0.43) ALDH1A1L3MBTL1IDO1MEN1KMT2A
SCHEMBL5667844 0.70 GABRA1 (0.45) ALDH1A1L3MBTL1GABRA1GABRB2
SCHEMBL27633779 0.70 GABRA1 (0.45) GABRA1GABRB2
SCHEMBL27471913 0.69 ALDH1A1 (0.56) ALDH1A1L3MBTL1GABRA1GABRB2IDO1
SCHEMBL9092443 0.69 MAPK1 (0.50) PDK2ALDH1A1ADORA2APOLBKDM4E

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10103401-B2 Polymer electrolyte composition and polymer electrolyte membrane, polymer electrolyte membrane with catalyst layer, membrane electrode assembly, and polymer electrolyte fuel cell each using the same TORAY INDUSTRIES, INC. (JP) 2018-10-16 US disclosed
EP-3131145-B1 POLYMER ELECTROLYTE COMPOSITION AND POLYMER ELECTROLYTE MEMBRANE, MEMBRANE-ELECTROLYTE ASSEMBLY, AND SOLID POLYMER FUEL CELL USING SAME TORAY INDUSTRIES (JP) 2018-09-05 EP disclosed
US-20170125832-A1 POLYMER ELECTROLYTE COMPOSITION AND POLYMER ELECTROLYTE MEMBRANE, POLYMER ELECTROLYTE MEMBRANE WITH CATALYST LAYER, MEMBRANE ELECTRODE ASSEMBLY, AND POLYMER ELECTROLYTE FUEL CELL EACH USING THE SAME TORAY INDUSTRIES, INC. (JP) 2017-05-04 US disclosed
EP-3131145-A1 POLYMER ELECTROLYTE COMPOSITION AND POLYMER ELECTROLYTE MEMBRANE, MEMBRANE-ELECTROLYTE ASSEMBLY, AND SOLID POLYMER FUEL CELL USING SAME Toray Industries, Inc. (JP) 2017-02-15 EP disclosed