SCHEMBL438677

SCHEMBL438677

Nc1c([N+](=O)[O-])c(N)c([N+](=O)[O-])c(N)c1[N+](=O)[O-]

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.40
PKM P14618 1/20 0.39
TDP1 Q9NUW8 3/20 0.38
TSHR P16473 2/20 0.38
LMNA P02545 1/20 0.38
POLB P06746 2/20 0.37
HTT P42858 1/20 0.37
CYP3A4 P08684 3/20 0.36
GRIN2D O15399 1/20 0.35
GRIN3B O60391 1/20 0.35
GRIN1 Q05586 1/20 0.35
GRIN2A Q12879 1/20 0.35
GRIN2B Q13224 1/20 0.35
GRIN2C Q14957 1/20 0.35
GRIN3A Q8TCU5 1/20 0.35
LOXL2 Q9Y4K0 1/20 0.35
MEN1 O00255 2/20 0.34
KMT2A Q03164 2/20 0.34
USP2 O75604 1/20 0.34
KEAP1 Q14145 1/20 0.34

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
Barium SCHEMBL31718046 0.97 ALDH1A1 (0.39) ALDH1A1PKMTDP1TSHRLMNA
SCHEMBL29232798 0.93 ALDH1A1 (0.40) ALDH1A1PKMTDP1TSHRLMNA
SCHEMBL7861184 0.90 ALDH1A1 (0.39) ALDH1A1PKMTDP1TSHRLMNA
SCHEMBL15598673 0.90 TSHR (0.42) ALDH1A1PKMTDP1TSHRLMNA
SCHEMBL16713904 0.86 S100A4 (0.40) ALDH1A1PKMLMNAHTTMEN1
SCHEMBL9641539 0.86 TSHR (0.46) ALDH1A1PKMTDP1TSHRLMNA
Dimethyl Sulfoxide SCHEMBL28582516 0.86 PKM (0.38) ALDH1A1PKMTDP1TSHRLMNA
SCHEMBL8151295 0.86 PKM (0.42) ALDH1A1PKMTDP1TSHRLMNA
SCHEMBL22555902 0.86 ALDH1A1 (0.33) ALDH1A1PKMTDP1TSHRLMNA
SCHEMBL28266932 0.86 GRIN2D (0.38) ALDH1A1PKMTDP1TSHRLMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-122036441-A Core-shell structure composite energetic material and preparation method thereof 大连理工大学 2026-05-15 CN claimed
CN-119890470-A Secondary battery, preparation method thereof, lithium supplementing method and energy storage equipment 浙江晶科储能有限公司 2025-04-25 CN claimed
CN-119661373-A TATB crystal with fusiform micro-nano hierarchical structure and preparation method thereof 中国工程物理研究院化工材料研究所 2025-03-21 CN claimed
CN-119308024-A Chemical and biological enzyme combined degumming method for jute fiber 新疆大学 2025-01-14 CN claimed
CN-115991745-B Helicobacter pylori recombinant antigen protein TatB, and preparation method and application thereof 四川大学华西医院 2024-12-17 CN claimed
CN-118878426-A Method for preparing spherical 1,3, 5-triamino-2, 4,6 trinitrobenzene based on emulsion method 西南科技大学 2024-11-01 CN claimed
CN-116854549-B Method for cooperatively improving mechanical and heat conducting properties of mixed explosive and obtained mixed explosive 中国工程物理研究院化工材料研究所 2024-09-13 CN claimed
CN-118598720-A Composite explosive based on supermolecule UPy modification and preparation method thereof 中国工程物理研究院化工材料研究所 2024-09-06 CN claimed
US-20240277783-A1 BACTERIUM MODIFIED TO EXPRESS HETEROLOGOUS Tat PROTEIN AJINOMOTO CO., INC. (JP) 2024-08-22 US claimed
WO-2024172163-A1 METHOD FOR SECRETORY PRODUCTION OF PROTEINS 味の素株式会社 2024-08-22 WO claimed
US-5468313-A Plastisol explosive THIOKOL CORPORATION (US) 1995-11-21 US claimed
US-H1459-H Cast-curable, polyurethane from a polyorthocarbonate diol and a diisocyanate THE UNITED STATES OF AMERICA AS REPRESENTED BY THE SECRETARY OF THE NAVY (US) 1995-07-04 US claimed
US-5034073-A Explosive composition with binder AEROJET GENERAL CORPORATION (US) 1991-07-23 US claimed
US-4997987-A Preparation of 1,3,5-triamino-2,4,6-trinitrobenzene from 3,5-dichloroanisole THE UNITED STATES OF AMERICA AS REPRESENTED BY THE UNITED STATES DEPARTMENT OF ENERGY (US) 1991-03-05 US claimed
US-4952733-A Preparation of 1,3,5-triamino-2,4,6-trinitrobenzene from 3,5-dichloranisole THE UNITED STATES OF AMERICA AS REPRESENTED BY THE UNITED STATES DEPARTMENT OF ENERGY (US) 1990-08-28 US claimed
US-4618452-A Spot test for 1,3,5-triamino-2,4,6-trinitrobenzene, TATB THE UNITED STATES OF AMERICA AS REPRESENTED BY THE UNITED STATES DEPARTMENT OF ENERGY (US) 1986-10-21 US claimed
US-4439622-A Process of forming large crystalled 1,3,5-triaminotrinitrobenzene FRAUNHOFER-GESELLSCHAFT ZUR FORDERUNG DER ANGEWANDTEN FORSCHUNG E. V. (DE) 1984-03-27 US claimed
EP-0056491-B1 PROCESS FOR THE PREPARATION OF COARSE-GRAINED TRIAMINOTRINITROBENZENE FRAUNHOFER-GESELLSCHAFT ZUR FÖRDERUNG DER ANGEWANDTEN FORSCHUNG E.V. (DE) 1983-12-21 EP claimed
US-4394197-A NONEXPLOSIVE IN FUEL FIRES; POLYTETRAFLUORO-ETHYLENE BINDER THE UNITED STATES OF AMERICA AS REPRESENTED BY THE SECRETARY OF THE NAVY (US) 1983-07-19 US claimed
EP-0056491-A1 Process for the preparation of coarse-grained triaminotrinitrobenzene FRAUNHOFER-GESELLSCHAFT ZUR FÖRDERUNG DER ANGEWANDTEN FORSCHUNG E.V. (DE) 1982-07-28 EP claimed