SCHEMBL10032442

SCHEMBL10032442

c1ccc(-c2ccc(-c3ccc4ccc5ccc(-c6cccc7ccccc67)nc5c4n3)cc2)c(-c2ccc(-c3ccc4ccc5ccc(-c6cccc7ccccc67)nc5c4n3)cc2)c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ENPP1 P22413 2/20 0.48
▸ ENPP3 O14638 1/20 0.48
▸ KDM4E B2RXH2 2/20 0.43
▸ ALDH1A1 P00352 2/20 0.43
▸ HPGD P15428 2/20 0.43
▸ PARP1 P09874 2/20 0.42
▸ CA12 O43570 2/20 0.41
▸ CA1 P00915 2/20 0.41
▸ CA2 P00918 2/20 0.41
▸ CA9 Q16790 2/20 0.41
▸ AR P10275 3/20 0.40
▸ HDAC8 Q9BY41 1/20 0.40
▸ HDAC6 Q9UBN7 1/20 0.40
▸ PTGS2 P35354 1/20 0.39
▸ PIM1 P11309 2/20 0.38
▸ NOS1 P29475 1/20 0.38
▸ MEN1 O00255 2/20 0.38
▸ KMT2A Q03164 2/20 0.38
▸ NPC1 O15118 1/20 0.38
▸ RAB9A P51151 1/20 0.38

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
SCHEMBL10032343 0.98 ENPP1 (0.47) ENPP1ENPP3KDM4EALDH1A1HPGD
SCHEMBL10032245 0.97 ENPP3 (0.46) ENPP1ENPP3KDM4EALDH1A1HPGD
SCHEMBL10032339 0.95 ENPP3 (0.45) ENPP1ENPP3KDM4EALDH1A1HPGD
SCHEMBL19768245 0.93 ENPP3 (0.44) ENPP1ENPP3KDM4EALDH1A1HPGD
SCHEMBL20250389 0.92 ENPP1 (0.48) ENPP1ENPP3KDM4EALDH1A1HPGD
SCHEMBL19768161 0.90 ENPP3 (0.42) ENPP1ENPP3KDM4EALDH1A1HPGD
SCHEMBL20250378 0.90 ENPP1 (0.51) ENPP1ENPP3KDM4EALDH1A1HPGD
SCHEMBL10032267 0.89 ALDH1A1 (0.50) ENPP1ENPP3KDM4EALDH1A1HPGD
SCHEMBL14900756 0.89 ALDH1A1 (0.50) ENPP1ENPP3KDM4EALDH1A1HPGD
SCHEMBL30414026 0.89 ALDH1A1 (0.50) ENPP1ENPP3KDM4EALDH1A1HPGD

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 10 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-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-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
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
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
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
US-8114529-B2 Material for lighting emitting device and light emitting device TORAY INDUSTRIES, INC. (JP) 2012-02-14 — — US disclosed
US-8114529-B2 Material for lighting emitting device and light emitting device TORAY INDUSTRIES, INC. (JP) 2012-02-14 — — US disclosed
US-20070267958-A1 Material for Light Emitting Device and Light Emitting Device TORAY INDUSTRIES, INC. (JP) 2007-11-22 — — US disclosed
US-20070267958-A1 Material for Light Emitting Device and Light Emitting Device TORAY INDUSTRIES, INC. (JP) 2007-11-22 — — US disclosed
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