SCHEMBL10032416

SCHEMBL10032416

Cc1ccc2ccc3ccc(-c4ccc(-c5ccccc5-c5ccc(-c6ccc7ccc8ccc(C)nc8c7n6)cc5)cc4)nc3c2n1

nearest known ligand 0.54

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 2/20 0.54
CCR1 P32246 1/20 0.54
CCR5 P51681 1/20 0.54
METAP2 P50579 1/20 0.42
SLC40A1 Q9NP59 1/20 0.40
CYP1A2 P05177 1/20 0.38
PTGS2 P35354 1/20 0.38
PARP1 P09874 2/20 0.37
KDM4E B2RXH2 1/20 0.37
NPC1 O15118 1/20 0.37
ALDH1A1 P00352 1/20 0.37
NFKB1 P19838 1/20 0.37
NFKB2 Q00653 1/20 0.37
RELA Q04206 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
ENPP3 O14638 2/20 0.36
ENPP1 P22413 2/20 0.36
ADORA2A P29274 1/20 0.36
ADORA1 P30542 1/20 0.36

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
SCHEMBL10032383 0.98 RAB9A (0.52) RAB9ACCR1CCR5METAP2SLC40A1
SCHEMBL10032282 0.89 CCR1 (0.68) RAB9ACCR1CCR5METAP2CYP1A2
SCHEMBL21032340 0.87 RAB9A (0.56) RAB9ACCR1CCR5METAP2PARP1
SCHEMBL9611715 0.87 RAB9A (0.60) RAB9ACCR1CCR5METAP2CYP1A2
SCHEMBL10032438 0.87 CCR1 (0.65) RAB9ACCR1CCR5METAP2CYP1A2
SCHEMBL10032441 0.85 PARP1 (0.49) RAB9APTGS2PARP1KDM4ENPC1
SCHEMBL10032381 0.85 CCR1 (0.48) RAB9ACCR1CCR5METAP2SLC40A1
SCHEMBL10032417 0.83 PARP1 (0.47) RAB9APTGS2PARP1KDM4ENPC1
SCHEMBL13929555 0.82 CCR1 (0.42) RAB9ACCR1CCR5METAP2SLC40A1
SCHEMBL10032311 0.81 CCR1 (0.52) RAB9ACCR1CCR5METAP2ENPP3

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