SCHEMBL19834569

SCHEMBL19834569

NNP(=O)(O)Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-]

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.49
MEN1 O00255 4/20 0.49
KMT2A Q03164 4/20 0.49
MAPT P10636 2/20 0.49
TDP1 Q9NUW8 2/20 0.46
HSPB1 P04792 3/20 0.46
GPR35 Q9HC97 2/20 0.45
TP53 P04637 1/20 0.45
HPGD P15428 1/20 0.45
TSHR P16473 1/20 0.45
MAPK1 P28482 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
TTR P02766 3/20 0.44
POLB P06746 1/20 0.44
TXNRD1 Q16881 1/20 0.44
TXNRD3 Q86VQ6 1/20 0.44
TXNRD2 Q9NNW7 1/20 0.44
CA1 P00915 1/20 0.43
CA2 P00918 1/20 0.43
CES2 O00748 1/20 0.43

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
SCHEMBL6839972 0.83 CES2 (0.57) ALDH1A1MEN1KMT2AMAPTTDP1
SCHEMBL6041202 0.83 CA1 (0.57) ALDH1A1MEN1KMT2AMAPTTDP1
SCHEMBL6839971 0.83 CES2 (0.57) ALDH1A1MEN1KMT2AMAPTTDP1
SCHEMBL6041195 0.83 CA1 (0.57) ALDH1A1MEN1KMT2AMAPTTDP1
SCHEMBL28200786 0.81 ALDH1A1 (0.55) ALDH1A1MEN1KMT2ATDP1HPGD
SCHEMBL6041193 0.80 ALDH1A1 (0.54) ALDH1A1MEN1KMT2AMAPTTDP1
SCHEMBL28200119 0.77 CA2 (0.67) ALDH1A1MEN1KMT2AMAPTHSPB1
SCHEMBL28200751 0.75 MEN1 (0.50) ALDH1A1MEN1KMT2AMAPTTSHR
SCHEMBL6845321 0.75 CA1 (0.49) ALDH1A1MEN1KMT2AMAPTHSPB1
SCHEMBL6845320 0.75 CA1 (0.49) ALDH1A1MEN1KMT2AMAPTHSPB1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20180093458-A1 MULTILAYERED CONTAINER TOYO SEIKAN GROUP HOLDINGS, LTD. (JP) 2018-04-05 US disclosed
EP-3279099-A1 MULTILAYERED CONTAINER Toyo Seikan Group Holdings, Ltd. (JP) 2018-02-07 EP disclosed