SCHEMBL3310982

SCHEMBL3310982

CN(c1ccc([N+](=O)[O-])cc1)[N+](=O)[O-]

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.56
MAPK1 P28482 3/20 0.56
L3MBTL1 Q9Y468 2/20 0.56
CYP1A2 P05177 1/20 0.56
CYP3A4 P08684 1/20 0.56
TSHR P16473 1/20 0.56
PHLPP2 Q6ZVD8 1/20 0.56
TDP1 Q9NUW8 1/20 0.56
ALDH1A1 P00352 6/20 0.53
MEN1 O00255 2/20 0.53
KMT2A Q03164 2/20 0.53
CRHBP P24387 2/20 0.53
CRHR2 Q13324 2/20 0.53
ATM Q13315 1/20 0.53
TLR9 Q9NR96 1/20 0.53
HSD17B10 Q99714 2/20 0.52
ACHE P22303 1/20 0.52
SMN1; SMN2 Q16637 2/20 0.49
NPC1 O15118 1/20 0.49
TNNI3 P19429 1/20 0.49

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
SCHEMBL29431802 0.89 MAPT (0.42) MAPTMAPK1L3MBTL1CYP1A2CYP3A4
SCHEMBL14165160 0.82 MAPT (0.60) MAPTMAPK1L3MBTL1CYP1A2CYP3A4
SCHEMBL218018 0.82 MAPT (0.78) MAPTMAPK1L3MBTL1CYP1A2CYP3A4
SCHEMBL21474173 0.82 MAPT (0.60) MAPTMAPK1L3MBTL1CYP1A2CYP3A4
SCHEMBL13619907 0.80 MAPT (0.50) MAPTMAPK1L3MBTL1CYP1A2CYP3A4
Ammonia Solution, Strong SCHEMBL29558993 0.80 MAPT (0.75) MAPTMAPK1L3MBTL1CYP1A2CYP3A4
Phosphine SCHEMBL30201038 0.80 MAPT (0.75) MAPTMAPK1L3MBTL1CYP1A2CYP3A4
Hydrogen Sulfide SCHEMBL28326954 0.80 MAPT (0.75) MAPTMAPK1L3MBTL1CYP1A2CYP3A4
SCHEMBL8290211 0.79 MAPT (0.54) MAPTMAPK1L3MBTL1CYP1A2CYP3A4
Iodide SCHEMBL10484653 0.78 MAPT (0.72) MAPTMAPK1L3MBTL1CYP1A2CYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120291931-A1 COMPOSITE COMPOUND INCLUDING EXPLOSIVE AND MODIFIER FOR EXPLOSIVE AND METHOD OF MANUFACTURE THEREOF MCDERMOTT WILL & EMERY 2012-11-22 US claimed
CN-102381992-A Method for preparing nitroaniline derivants XUECHONG YUAN 2012-03-21 CN claimed
US-20100096050-A1 MODIFIER FOR EXPLOSIVES LIMITED LIABILITY COMPANY IFO 2010-04-22 US claimed
EP-2128117-A2 MODIFIER FOR EXPLOSIVES Obshestvo S Ogranichennoy Otvetstvennjctyu "Ifokhim" (RU) 2009-12-02 EP claimed
CN-119968433-A Thermoplastic elastomer composition and molded article thereof 三井化学株式会社 2025-05-09 CN disclosed
CN-119894974-A Sliding composition, use thereof, and method for producing sliding composition 三井化学株式会社 2025-04-25 CN disclosed
CN-116970253-A Composition for foam, and method for producing foam 旭化成株式会社 2023-10-31 CN disclosed
US-20120291931-A1 COMPOSITE COMPOUND INCLUDING EXPLOSIVE AND MODIFIER FOR EXPLOSIVE AND METHOD OF MANUFACTURE THEREOF MCDERMOTT WILL & EMERY 2012-11-22 US disclosed
CN-102381992-A Method for preparing nitroaniline derivants XUECHONG YUAN 2012-03-21 CN disclosed
EP-2128117-A2 MODIFIER FOR EXPLOSIVES Obshestvo S Ogranichennoy Otvetstvennjctyu "Ifokhim" (RU) 2009-12-02 EP disclosed
CN-1208050-A Olefin thermoplastic elastomer composition MITSUI CHEMICALS INC (JP) 1999-02-17 CN disclosed