Sugi Predict

Sugi Predict / Compounds / SCHEMBL28898103

SCHEMBL28898103

SCHEMBL28898103

O=[N+]([O-])c1no[n+]([O-])c1[N+](=O)[O-].c1cnon1

nearest known ligand 0.46

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ ABCC1 P33527 2/20 0.46
▸ ABCB1 P08183 1/20 0.46
▸ CA12 O43570 2/20 0.44
▸ CA1 P00915 2/20 0.44
▸ CA2 P00918 2/20 0.44
▸ CA9 Q16790 2/20 0.44
▸ HSP90AA1 P07900 1/20 0.33
▸ KDM4E B2RXH2 1/20 0.32
▸ MEN1 O00255 1/20 0.32
▸ ALDH1A1 P00352 1/20 0.32
▸ MAPT P10636 1/20 0.32
▸ PKM P14618 1/20 0.32
▸ MAPK1 P28482 1/20 0.32
▸ KMT2A Q03164 1/20 0.32
▸ TDP1 Q9NUW8 1/20 0.32
▸ NSD2 O96028 1/20 0.30
▸ NCOA1 Q15788 1/20 0.30
▸ NCOA3 Q9Y6Q9 1/20 0.30

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
SCHEMBL9014154 0.88 ABCC1 (0.51) ABCC1ABCB1CA12CA1CA2
Potassium Ion SCHEMBL8649329 0.86 ABCC1 (0.50) ABCC1ABCB1CA12CA1CA2
SCHEMBL8649331 0.86 ABCC1 (0.50) ABCC1ABCB1CA12CA1CA2
SCHEMBL31439271 0.67 ABCC1 (0.50) ABCC1ABCB1CA12CA1CA2
SCHEMBL31188779 0.67 ABCC1 (0.50) ABCC1ABCB1CA12CA1CA2
SCHEMBL31439265 0.67 ABCC1 (0.50) ABCC1ABCB1CA12CA1CA2
SCHEMBL7082013 0.67 ABCC1 (0.50) ABCC1ABCB1CA12CA1CA2
SCHEMBL30892508 0.67 ABCC1 (0.40) ABCC1ABCB1CA12CA1CA2
SCHEMBL14721896 0.66 ABCC1 (0.49) ABCC1ABCB1CA12CA1CA2
SCHEMBL30262276 0.66 ABCC1 (0.49) ABCC1ABCB1CA12CA1CA2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114539010-B Preparation method of MTNP/DNTF/DNAN eutectic mixture 中北大学 2022-11-11 — — CN claimed
CN-110232241-B Hemispherical fusion-cast explosive casting process simulation method 西安近代化学研究所 2022-10-25 — — CN claimed
CN-112457145-B Metal accelerated explosive and preparation method thereof 西安近代化学研究所 2022-03-15 — — CN claimed
CN-111470924-B Composite energetic material with embedded structure and preparation method thereof 西安近代化学研究所 2021-06-15 — — CN claimed
CN-112552134-A Fusion cast explosive 西安近代化学研究所 2021-03-26 — — CN claimed
CN-112457145-A Metal accelerated explosive and preparation method thereof 西安近代化学研究所 2021-03-09 — — CN claimed
CN-112010720-A Composite energetic material with embedded structure and preparation method thereof 西安近代化学研究所 2020-12-01 — — CN claimed
CN-111470924-A Composite energetic material with embedded structure and preparation method thereof 西安近代化学研究所 2020-07-31 — — CN claimed
CN-114539010-B Preparation method of MTNP/DNTF/DNAN eutectic mixture 中北大学 2022-11-11 — — CN disclosed
CN-110232241-B Hemispherical fusion-cast explosive casting process simulation method 西安近代化学研究所 2022-10-25 — — CN disclosed
CN-115108871-A Method for determining optimal addition proportion of functional additives in fusion-cast explosive 西安近代化学研究所 2022-09-27 — — CN disclosed
CN-112552134-B Fusion cast explosive 西安近代化学研究所 2022-05-24 — — CN disclosed
CN-112457145-B Metal accelerated explosive and preparation method thereof 西安近代化学研究所 2022-03-15 — — CN disclosed
CN-111470924-B Composite energetic material with embedded structure and preparation method thereof 西安近代化学研究所 2021-06-15 — — CN disclosed
CN-112552134-A Fusion cast explosive 西安近代化学研究所 2021-03-26 — — CN disclosed
CN-112457145-A Metal accelerated explosive and preparation method thereof 西安近代化学研究所 2021-03-09 — — CN disclosed
CN-112010720-A Composite energetic material with embedded structure and preparation method thereof 西安近代化学研究所 2020-12-01 — — CN disclosed
CN-111470924-A Composite energetic material with embedded structure and preparation method thereof 西安近代化学研究所 2020-07-31 — — CN disclosed