SCHEMBL397931

SCHEMBL397931

COc1ccc([N+](=O)[O-])cc1[N+](=O)[O-]

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 4/20 0.66
TTR P02766 2/20 0.62
HTT P42858 2/20 0.62
ALDH1A1 P00352 5/20 0.58
SMN1; SMN2 Q16637 3/20 0.58
MAPT P10636 3/20 0.58
MEN1 O00255 2/20 0.58
KMT2A Q03164 2/20 0.58
LMNA P02545 2/20 0.58
POLB P06746 1/20 0.58
HSPB1 P04792 3/20 0.57
CYP19A1 P11511 1/20 0.54
PTGS2 P35354 1/20 0.54
TUBB4A P04350 1/20 0.54
TUBB P07437 1/20 0.54
TUBA3C P0DPH7 1/20 0.54
TUBA1B P68363 1/20 0.54
TUBA4A P68366 1/20 0.54
TUBB4B P68371 1/20 0.54
TUBB3 Q13509 1/20 0.54

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
SCHEMBL29351649 1.00 TDP1 (0.66) TDP1TTRHTTALDH1A1SMN1; SMN2
SCHEMBL20328412 1.00 TDP1 (0.66) TDP1TTRHTTALDH1A1SMN1; SMN2
SCHEMBL20328418 1.00 TDP1 (0.66) TDP1TTRHTTALDH1A1SMN1; SMN2
SCHEMBL28153531 0.96 TDP1 (0.62) TDP1TTRHTTALDH1A1SMN1; SMN2
Dinitrophenylene SCHEMBL27753906 0.92 TDP1 (0.57) TDP1TTRHTTALDH1A1SMN1; SMN2
SCHEMBL10363811 0.88 TTR (0.67) TDP1TTRHTTALDH1A1SMN1; SMN2
SCHEMBL28546991 0.86 PDGFRB (0.57) TDP1TTRHTTALDH1A1SMN1; SMN2
SCHEMBL5320033 0.85 L3MBTL1 (0.71) TDP1TTRHTTALDH1A1SMN1; SMN2
SCHEMBL17309049 0.85 ALDH1A1 (0.55) TDP1TTRHTTALDH1A1SMN1; SMN2
SCHEMBL8977874 0.85 HTT (0.68) TDP1TTRHTTALDH1A1SMN1; SMN2

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 791 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-116573978-B Method for preparing skeleton type energetic material and filling charging device 中北大学 2024-07-23 CN claimed
CN-118320772-A Parallel multi-tube annular gap slit type etherification reaction system and method for preparing 2, 4-dinitroanisole by using same 西安联众安科化工有限公司 2024-07-12 CN claimed
CN-117630140-A Electrochemical method for detecting content of 2, 4-Dinitroanisole (DNAN) 北京理工大学 2024-03-01 CN claimed
CN-114507141-B Method for controlling 2,4-dinitroanisole crystal form 中北大学 2024-01-23 CN claimed
US-11834383-B2 Energetic feedstock for additive manufacturing LYNNTECH, INC. (US) 2023-12-05 US claimed
CN-117164416-A Nano nickel oxide loaded anti-metal corrosion explosive and preparation method thereof 北京理工大学 2023-12-05 CN claimed
CN-116573978-A Method for preparing skeleton type energetic material and filling charging device 中北大学 2023-08-11 CN claimed
CN-116283454-A Micro-nano composite aluminum powder particles, granulating method and application thereof 中国工程物理研究院化工材料研究所 2023-06-23 CN claimed
CN-115108871-B Method for determining optimal addition proportion of functional auxiliary agent in fusion-cast explosive 西安近代化学研究所 2023-05-09 CN claimed
CN-114436876-B Continuous synthesis method of 2-amino-4-acetamino anisole 中国科学院大连化学物理研究所 2023-03-14 CN claimed
US-20020038682-A1 Reduced sensitivity melt-cast explosives Northrop Grumman Innovation Systems, Inc. 2002-04-04 US claimed
WO-2001046091-A1 REDUCED SENSITIVITY MELT-CAST EXPLOSIVES DOLL, DANIEL, W. 2001-06-28 WO claimed
US-5777168-A Process for producing N-alkyl-dinitroalkylanilines SRM CHEMICAL, LTD. CO. (US) 1998-07-07 US claimed
CN-1146450-A Technological process for preparation of 2-amino-4- acetaminoanisole by 2,4-dinitro chlorobenzene CHEN LUWU (CN) 1997-04-02 CN claimed
EP-0493638-A1 Novel composite explosives and method for making them UNION ESPANOLA DE EXPLOSIVOS S.A. (ES) 1992-07-08 EP claimed
US-5028355-A Conductive polyurethane foam containing picric acid and analog thereof CREST-FOAM CORPORATION (US) 1991-07-02 US claimed
EP-0316446-A4 IMPROVED CONDUCTIVE POLYURETHANE FOAM COMPOSITIONS AND METHOD 1991-03-20 EP claimed
EP-0316446-A1 IMPROVED CONDUCTIVE POLYURETHANE FOAM COMPOSITIONS AND METHOD CREST-FOAM Corp. (US) 1989-05-24 EP claimed
WO-1988009350-A1 IMPROVED CONDUCTIVE POLYURETHANE FOAM COMPOSITIONS AND METHOD CREST-FOAM COPORATION (US) 1988-12-01 WO claimed
US-4473713-A Hydrolysis of aryl-aliphatic ethers RHONE-POULENC SPECIALITES CHIMIQUES (FR) 1984-09-25 US claimed