SCHEMBL3452960

SCHEMBL3452960

O=[N+]([O-])c1cnc(Nc2c([N+](=O)[O-])cc([N+](=O)[O-])cc2[N+](=O)[O-])c([N+](=O)[O-])c1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AHR P35869 1/20 0.59
TDP1 Q9NUW8 3/20 0.58
ALDH1A1 P00352 8/20 0.54
MAPT P10636 7/20 0.54
LMNA P02545 2/20 0.54
KDM4E B2RXH2 2/20 0.54
NPC1 O15118 1/20 0.54
MITF O75030 1/20 0.54
RAB9A P51151 1/20 0.54
MAPK1 P28482 5/20 0.44
HTT P42858 2/20 0.44
MEN1 O00255 5/20 0.43
KMT2A Q03164 5/20 0.43
HSP90AA1 P07900 1/20 0.43
GAA P10253 2/20 0.40
POLB P06746 2/20 0.40
XBP1 P17861 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
TTR P02766 1/20 0.40
CYP1A2 P05177 1/20 0.40

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
SCHEMBL522546 0.83 MAPT (0.53) AHRTDP1ALDH1A1MAPTLMNA
SCHEMBL17203058 0.81 ALDH1A1 (0.49) AHRTDP1ALDH1A1MAPTLMNA
SCHEMBL2218947 0.80 ALDH1A1 (0.59) TDP1ALDH1A1MAPTLMNAKDM4E
SCHEMBL29695587 0.80 TDP1 (0.73) AHRTDP1ALDH1A1MAPTLMNA
SCHEMBL30807120 0.79 ALDH1A1 (0.57) AHRTDP1ALDH1A1MAPTLMNA
SCHEMBL7416178 0.79 AHR (0.55) AHRTDP1ALDH1A1MAPTLMNA
SCHEMBL6634074 0.79 ALDH1A1 (0.57) AHRTDP1ALDH1A1MAPTLMNA
Potassium Ion SCHEMBL11543057 0.78 ALDH1A1 (0.57) TDP1ALDH1A1MAPTLMNAKDM4E
SCHEMBL5712996 0.78 ALDH1A1 (0.57) TDP1ALDH1A1MAPTLMNAKDM4E
SCHEMBL11543051 0.78 ALDH1A1 (0.57) TDP1ALDH1A1MAPTLMNAKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-115902062-A Method for detecting components in CG-K (2) explosive 山西北化关铝化工有限公司 2023-04-04 CN claimed
CN-109153620-B High-temperature exploder 德力能欧洲有限公司 2021-08-17 CN claimed
WO-2015163872-A1 JET CUTTER HAVING A TRUNCATED LINER AT APEX HALLIBURTON ENERGY SERVICES, INC. (US) 2015-10-29 WO claimed
EP-0807095-B1 IMPROVED SIGNAL TRANSMISSION FUSE ENSIGN BICKFORD CO (US) 2005-03-23 EP claimed
CN-115902062-A Method for detecting components in CG-K (2) explosive 山西北化关铝化工有限公司 2023-04-04 CN disclosed
CN-115902062-A Method for detecting components in CG-K (2) explosive 山西北化关铝化工有限公司 2023-04-04 CN disclosed
CN-112292509-B Conductive detonating cord for perforating gun 德力能欧洲有限公司 2023-03-31 CN disclosed
WO-2022138700-A1 ATOPIC SKIN DISEASE AMELIORATING AGENT, EXTERNAL AGENT FOR SKIN, AND COSMETIC ピアス株式会社 2022-06-30 WO disclosed
CN-114075174-A Heat-resistant explosive and synthesis method thereof 南京理工大学 2022-02-22 CN disclosed
CN-109153620-B High-temperature exploder 德力能欧洲有限公司 2021-08-17 CN disclosed
CN-109153620-B High-temperature exploder 德力能欧洲有限公司 2021-08-17 CN disclosed
CN-108191816-B Heat-resistant energetic compound containing oxygen-bridged calixarene and preparation method thereof 信阳师范学院 2021-04-20 CN disclosed
EP-1918507-A1 Shaped charge comprising an acid Services Pétroliers Schlumberger (FR) 2008-05-07 EP disclosed
US-20020189482-A1 Debris free perforating system SCHLUMBERGER TECHNOLOGY CORPORATION 2002-12-19 US disclosed
WO-1999053263-A2 DEFLAGRATION TO DETONATION CHOKE HALLIBURTON ENERGY SERVICES, INC. (US) 1999-10-21 WO disclosed
US-4948897-A PRECIPITATION FROM TERTIARY SOLVENT SYSTEM JET RESEARCH CENTER, INC. (US) 1990-08-14 US disclosed
US-4855436-A RECRYSTALLIZATION FROM SOLVENTS JET RESEARCH CENTER, INC. (US) 1989-08-08 US disclosed
US-4607573-A Laminated fuse and manufacturing process therefor ENSIGN-BICKFORD INDUSTRIES, INC. (US) 1986-08-26 US disclosed
US-4564405-A 2,6-BIS/PICRYLAMINO/-3,5-DINITROPYRIDINE ENSIGN-BICKFORD INDUSTRIES, INC. (US) 1986-01-14 US disclosed
US-4564405-A 2,6-BIS/PICRYLAMINO/-3,5-DINITROPYRIDINE ENSIGN-BICKFORD INDUSTRIES, INC. (US) 1986-01-14 US disclosed