SCHEMBL17174207

SCHEMBL17174207

O=[N+]([O-])c1cc(-c2ccc3ccc4cccnc4c3n2)cc(-c2ccc3ccc4ccc(-c5cccc(-c6ccc7ccc8cccnc8c7n6)c5)nc4c3n2)c1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE4D Q08499 9/20 0.61
PDE4A P27815 8/20 0.57
PDE4C Q08493 5/20 0.57
TOP1 P11387 1/20 0.54
MAPT P10636 5/20 0.50
HTT P42858 3/20 0.50
SMN1; SMN2 Q16637 2/20 0.50
RAB9A P51151 2/20 0.50
TDP1 Q9NUW8 2/20 0.50
KDM4E B2RXH2 1/20 0.50
NPC1 O15118 1/20 0.50
PKM P14618 1/20 0.50
NFKB1 P19838 1/20 0.50
CASP6 P55212 1/20 0.50
NFKB2 Q00653 1/20 0.50
RELA Q04206 1/20 0.50
PDE4B Q07343 2/20 0.49
BCHE P06276 1/20 0.49
ACHE P22303 1/20 0.49
LMNA P02545 1/20 0.49

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
SCHEMBL17174209 0.96 PDE4D (0.58) PDE4DPDE4APDE4CTOP1MAPT
SCHEMBL17146641 0.88 PDE4D (0.53) PDE4DPDE4APDE4CTOP1MAPT
SCHEMBL17174154 0.84 NPC1 (0.55) PDE4DPDE4APDE4CTOP1MAPT
SCHEMBL17146611 0.84 CCR1 (0.59) TOP1MAPTHTTSMN1; SMN2RAB9A
SCHEMBL599744 0.84 CCR1 (0.59) TOP1MAPTHTTSMN1; SMN2RAB9A
SCHEMBL17174191 0.84 CCR1 (0.59) TOP1MAPTHTTSMN1; SMN2RAB9A
SCHEMBL17174194 0.84 CCR1 (0.59) TOP1MAPTHTTSMN1; SMN2RAB9A
SCHEMBL29517679 0.84 CCR1 (0.59) TOP1MAPTHTTSMN1; SMN2RAB9A
SCHEMBL17174040 0.83 CCR1 (0.57) TOP1MAPTHTTSMN1; SMN2RAB9A
SCHEMBL10032465 0.83 CCR1 (0.57) TOP1MAPTHTTSMN1; SMN2RAB9A

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-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