SCHEMBL225443

SCHEMBL225443

O=[N+]([O-])Nc1c([N+](=O)[O-])cc([N+](=O)[O-])cc1[N+](=O)[O-]

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.48
GPR35 Q9HC97 5/20 0.48
MAPT P10636 4/20 0.48
TDP1 Q9NUW8 4/20 0.48
MAPK1 P28482 3/20 0.48
KMT2A Q03164 3/20 0.48
KDM4E B2RXH2 2/20 0.48
MEN1 O00255 2/20 0.48
HPGD P15428 2/20 0.48
HIF1A Q16665 2/20 0.48
TTR P02766 1/20 0.48
CYP1A2 P05177 1/20 0.48
CYP2C9 P11712 1/20 0.48
ALOX15 P16050 1/20 0.48
ALOX12 P18054 1/20 0.48
RECQL P46063 1/20 0.48
PMP22 Q01453 1/20 0.48
HSD17B10 Q99714 1/20 0.48
L3MBTL1 Q9Y468 1/20 0.47
HSP90AA1 P07900 1/20 0.47

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
SCHEMBL13265018 0.82 KMT2A (0.54) ALDH1A1GPR35MAPTTDP1MAPK1
SCHEMBL2218947 0.82 ALDH1A1 (0.59) ALDH1A1GPR35MAPTTDP1MAPK1
SCHEMBL11543051 0.80 ALDH1A1 (0.57) ALDH1A1GPR35MAPTTDP1MAPK1
SCHEMBL5712996 0.80 ALDH1A1 (0.57) ALDH1A1GPR35MAPTTDP1MAPK1
SCHEMBL5712997 0.80 ALDH1A1 (0.57) ALDH1A1GPR35MAPTTDP1MAPK1
Potassium Ion SCHEMBL11543057 0.80 ALDH1A1 (0.57) ALDH1A1GPR35MAPTTDP1MAPK1
SCHEMBL8446350 0.78 ALDH1A1 (0.52) ALDH1A1GPR35MAPTTDP1MAPK1
SCHEMBL30613334 0.78 MAPT (0.51) ALDH1A1GPR35MAPTTDP1MAPK1
SCHEMBL28688793 0.78 GPR35 (0.53) ALDH1A1GPR35MAPTTDP1MAPK1
SCHEMBL3305172 0.78 MAPT (0.51) ALDH1A1GPR35MAPTTDP1MAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4377405-A1 A METHOD AND SYSTEM FOR DETECTION AND ANALYSIS OF CHEMICAL COMPOUNDS IN A SAMPLE SUBJECTED TO A CHROMATOGRAPHIC SEPARATION ON A LAYERED SEPARATING MEDIUM TECHNION RESEARCH & DEVELOPMENT FOUNDATION LIMITED (IL) 2024-06-05 EP claimed
CN-113796383-A Captan and cyazofamid pesticide composition and preparation method thereof 江西红土地化工有限公司 2021-12-17 CN claimed
US-9815175-B2 Abrasive entrainment waterjet cutting G.D.O. INC (US) 2017-11-14 US claimed
US-9744645-B2 Abrasive entrainment waterjet cutting G.D.O. Inc. (US) 2017-08-29 US claimed
US-20170151650-A1 Abrasive Entrainment Waterjet Cutting G.D.O. INC D/B/A GRADIENT TECHNOLOGY 2017-06-01 US claimed
US-20170151651-A1 Abrasive Entrainment Waterjet Cutting G.D.O. INC D/B/A GRADIENT TECHNOLOGY 2017-06-01 US claimed
US-9446500-B2 Underwater abrasive entrainment waterjet cutting method G.D.O. Inc. (US) 2016-09-20 US claimed
US-7225716-B1 Process for removing the fuze from explosive projectiles using fluid jet technology GRADIENT TECHNOLOGY (US) 2007-06-05 US claimed
WO-2001088463-A2 PROCESS FOR REMOVING THE FUZES FROM EXPLOSIVE PROJECTILES GRADIENT TECHNOLOGY (US) 2001-11-22 WO claimed
EP-4377405-A1 A METHOD AND SYSTEM FOR DETECTION AND ANALYSIS OF CHEMICAL COMPOUNDS IN A SAMPLE SUBJECTED TO A CHROMATOGRAPHIC SEPARATION ON A LAYERED SEPARATING MEDIUM TECHNION RESEARCH & DEVELOPMENT FOUNDATION LIMITED (IL) 2024-06-05 EP disclosed
CN-113796383-A Captan and cyazofamid pesticide composition and preparation method thereof 江西红土地化工有限公司 2021-12-17 CN disclosed
US-10077966-B2 Abrasive entrainment waterjet cutting G.D.O. Inc. (US) 2018-09-18 US disclosed
US-10076821-B2 Abrasive entrainment waterjet cutting G.D.O. INC (US) 2018-09-18 US disclosed
US-20180080734-A1 Abrasive Entrainment Waterjet Cutting G.D.O. INC, D/B/A GRADIENT TECHNOLOGY 2018-03-22 US disclosed
US-7328643-B2 Process for accessing munitions using fluid jet technology GRADIENT TECHNOLOGY (US) 2008-02-12 US disclosed
US-20080006142-A1 PROCESS FOR ACCESSING MUNITIONS USING FLUID JET TECHNOLOGY GRADIENT TECHNOLOGY 2008-01-10 US disclosed
US-7225716-B1 Process for removing the fuze from explosive projectiles using fluid jet technology GRADIENT TECHNOLOGY (US) 2007-06-05 US disclosed
US-6770877-B2 Method and apparatus for analyzing vapors generated from explosives HITACHI, LTD. (JP) 2004-08-03 US disclosed
US-20040113067-A1 METHOD AND APPARATUS FOR ANALYZING VAPORS GENERATED FROM EXPLOSIVES HITACHI INDUSTRIAL EQUIPMENT SYSTEMS CO., LTD. (JP) 2004-06-17 US disclosed
WO-2001088463-A2 PROCESS FOR REMOVING THE FUZES FROM EXPLOSIVE PROJECTILES GRADIENT TECHNOLOGY (US) 2001-11-22 WO disclosed