SCHEMBL17146641

SCHEMBL17146641

O=[N+]([O-])c1cccc(-c2ccc3ccc4ccc(-c5cc(-c6ccc7ccc8ccc(-c9cccc([N+](=O)[O-])c9)nc8c7n6)cc([N+](=O)[O-])c5)nc4c3n2)c1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE4D Q08499 4/20 0.53
NPC1 O15118 2/20 0.52
RAB9A P51151 2/20 0.52
IDO1 P14902 1/20 0.51
MAPT P10636 4/20 0.51
PDE4A P27815 2/20 0.50
PDE4C Q08493 2/20 0.50
PLK1 P53350 1/20 0.49
ALDH1A1 P00352 3/20 0.49
THRB P10828 1/20 0.49
TDP1 Q9NUW8 1/20 0.49
CASP3 P42574 1/20 0.49
SENP8 Q96LD8 1/20 0.49
SENP7 Q9BQF6 1/20 0.49
SENP6 Q9GZR1 1/20 0.49
KDM4E B2RXH2 1/20 0.48
MEN1 O00255 1/20 0.48
MAPK1 P28482 1/20 0.48
KMT2A Q03164 1/20 0.48
SMN1; SMN2 Q16637 2/20 0.48

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
SCHEMBL17174154 0.97 NPC1 (0.55) PDE4DNPC1RAB9AIDO1MAPT
SCHEMBL17174207 0.88 PDE4D (0.61) PDE4DNPC1RAB9AMAPTPDE4A
SCHEMBL17174144 0.86 PLK1 (0.47) NPC1RAB9AIDO1MAPTPLK1
SCHEMBL17174133 0.85 NQO2 (0.49) PDE4DNPC1RAB9AMAPTPDE4A
SCHEMBL17146626 0.84 MAPT (0.45) NPC1RAB9AMAPTALDH1A1THRB
SCHEMBL17146625 0.84 KMT2A (0.49) PDE4DNPC1RAB9AMAPTPDE4A
SCHEMBL17174209 0.82 PDE4D (0.58) PDE4DNPC1RAB9AMAPTPDE4A
SCHEMBL30469262 0.79 NPC1 (0.68) NPC1RAB9AIDO1MAPTALDH1A1
SCHEMBL20557641 0.79 NPC1 (0.68) NPC1RAB9AIDO1MAPTALDH1A1
SCHEMBL12655925 0.76 NPC1 (0.56) PDE4DNPC1RAB9AIDO1MAPT

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 5 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-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
EP-2927283-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) 2015-10-07 EP disclosed