SCHEMBL17174133

SCHEMBL17174133

O=[N+]([O-])c1ccc(-c2ccc3ccc4ccc(-c5cc(-c6ccc7ccc8ccc(-c9ccccc9)nc8c7n6)cc([N+](=O)[O-])c5)nc4c3n2)cc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NQO2 P16083 1/20 0.49
KMT2A Q03164 6/20 0.48
MEN1 O00255 4/20 0.48
THRB P10828 1/20 0.48
MAPT P10636 3/20 0.48
ALDH1A1 P00352 2/20 0.48
SMN1; SMN2 Q16637 2/20 0.48
PDE4A P27815 1/20 0.47
PDE4C Q08493 1/20 0.47
PDE4D Q08499 1/20 0.47
NPC1 O15118 1/20 0.47
RAB9A P51151 1/20 0.47
MAPK1 P28482 2/20 0.46
PKM P14618 1/20 0.46
HTT P42858 1/20 0.46
NPSR1 Q6W5P4 1/20 0.46
MAOB P27338 1/20 0.46
TAAR1 Q96RJ0 1/20 0.45
ELANE P08246 1/20 0.45
POLB P06746 1/20 0.44

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
SCHEMBL17146626 0.94 MAPT (0.45) NQO2KMT2AMEN1THRBMAPT
SCHEMBL17146625 0.93 KMT2A (0.49) NQO2KMT2AMEN1THRBMAPT
SCHEMBL17174144 0.90 PLK1 (0.47) NQO2KMT2AMEN1THRBMAPT
SCHEMBL17146641 0.85 PDE4D (0.53) KMT2AMEN1THRBMAPTALDH1A1
SCHEMBL17174154 0.82 NPC1 (0.55) THRBMAPTALDH1A1SMN1; SMN2PDE4A
SCHEMBL17174209 0.80 PDE4D (0.58) KMT2AMEN1MAPTALDH1A1SMN1; SMN2
SCHEMBL17174207 0.80 PDE4D (0.61) KMT2AMEN1MAPTALDH1A1SMN1; SMN2
SCHEMBL10032410 0.79 MEN1 (0.52) KMT2AMEN1MAPTALDH1A1SMN1; SMN2
SCHEMBL28489642 0.77 MEN1 (0.60) KMT2AMEN1THRBMAPTALDH1A1
SCHEMBL6731942 0.77 MEN1 (0.60) KMT2AMEN1THRBMAPTALDH1A1

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