SCHEMBL13327253

SCHEMBL13327253

O=C(OCc1c([N+](=O)[O-])cccc1[N+](=O)[O-])N1CCC(CCCC2CCN(C(=O)OCc3c([N+](=O)[O-])cccc3[N+](=O)[O-])CC2)CC1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 1/20 0.44
FAAH O00519 1/20 0.43
GAA P10253 1/20 0.43
KDM4E B2RXH2 1/20 0.42
SMN1; SMN2 Q16637 3/20 0.41
ALDH1A1 P00352 2/20 0.41
KMT2A Q03164 2/20 0.41
NPC1 O15118 1/20 0.41
RAB9A P51151 1/20 0.41
GPR174 Q9BXC1 1/20 0.41
MAPT P10636 1/20 0.40
CYP2C19 P33261 1/20 0.40
OPRM1 P35372 1/20 0.40
GRIN2B Q13224 3/20 0.39
MEN1 O00255 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
THRB P10828 1/20 0.39
HRH2 P25021 1/20 0.39
HRH1 P35367 1/20 0.39
CHRM4 P08173 1/20 0.39

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
SCHEMBL1507804 0.87 HTT (0.46) HTTFAAHGAAKDM4ESMN1; SMN2
SCHEMBL1055547 0.86 KDM4E (0.53) KDM4ESMN1; SMN2ALDH1A1KMT2ANPC1
SCHEMBL15740077 0.83 OPRM1 (0.43) HTTFAAHGAAKDM4ESMN1; SMN2
SCHEMBL1058181 0.82 GPR174 (0.47) GAAKDM4ESMN1; SMN2ALDH1A1KMT2A
SCHEMBL12281700 0.81 KDM4E (0.48) GAAKDM4ESMN1; SMN2ALDH1A1KMT2A
SCHEMBL30728601 0.80 KDM4E (0.46) GAAKDM4ESMN1; SMN2ALDH1A1KMT2A
SCHEMBL4670875 0.78 THRB (0.48) HTTGAAKDM4ESMN1; SMN2ALDH1A1
SCHEMBL10018070 0.77 ALDH1A1 (0.46) HTTKDM4ESMN1; SMN2ALDH1A1NPC1
SCHEMBL15096895 0.76 KDM4E (0.39) GAAKDM4ESMN1; SMN2ALDH1A1KMT2A
SCHEMBL15101957 0.76 VCAM1 (0.41) HTTGAAKDM4ESMN1; SMN2ALDH1A1

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-20130126860-A1 THIN FILM TRANSISTOR SUBSTRATE DAI NIPPON PRINTING CO., LTD. (JP) 2013-05-23 US disclosed
US-20130126860-A1 THIN FILM TRANSISTOR SUBSTRATE DAI NIPPON PRINTING CO., LTD. (JP) 2013-05-23 US disclosed
US-7718343-B2 Decomposable resin composition and pattern-forming material including the same FUJIFILM CORPORATION (JP) 2010-05-18 US disclosed
US-20080070154-A1 DECOMPOSABLE RESIN COMPOSITION AND PATTERN-FORMING MATERIAL INCLUDING THE SAME FUJIFILM CORPORATION (JP) 2008-03-20 US disclosed