SCHEMBL3064665

SCHEMBL3064665

CN(c1ccccc1)c1c([N+](=O)[O-])c([N+](=O)[O-])c([N+](=O)[O-])c([N+](=O)[O-])c1[N+](=O)[O-]

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.51
KMT2A Q03164 5/20 0.48
MEN1 O00255 4/20 0.48
ALDH1A1 P00352 5/20 0.47
MAPK1 P28482 3/20 0.47
TLR9 Q9NR96 2/20 0.47
SMN1; SMN2 Q16637 2/20 0.47
LMNA P02545 2/20 0.47
NPSR1 Q6W5P4 2/20 0.47
S1PR4 O95977 1/20 0.47
HSP90AA1 P07900 1/20 0.47
HPGD P15428 1/20 0.47
S1PR1 P21453 1/20 0.47
CCR6 P51684 1/20 0.47
NPC1 O15118 2/20 0.47
RAB9A P51151 2/20 0.47
L3MBTL1 Q9Y468 2/20 0.44
CRHBP P24387 2/20 0.44
CRHR2 Q13324 2/20 0.44
ATM Q13315 2/20 0.44

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
SCHEMBL42923 0.77 ALDH1A1 (0.44) MAPTKMT2AMEN1ALDH1A1MAPK1
SCHEMBL27679277 0.77 ALDH1A1 (0.44) MAPTKMT2AMEN1ALDH1A1MAPK1
SCHEMBL3055253 0.77 TSHR (0.44) KMT2AMEN1ALDH1A1SMN1; SMN2NPSR1
SCHEMBL27679266 0.76 ALDH1A1 (0.43) MAPTKMT2AMEN1ALDH1A1MAPK1
Potassium SCHEMBL7994883 0.76 ALDH1A1 (0.43) MAPTKMT2AMEN1ALDH1A1MAPK1
Nitric Acid SCHEMBL10995999 0.75 KMT2A (0.58) MAPTKMT2AMEN1ALDH1A1MAPK1
SCHEMBL11587767 0.75 ATM (0.51) MAPTKMT2AMEN1ALDH1A1MAPK1
SCHEMBL5842574 0.74 ALDH1A1 (0.71) MAPTKMT2AMEN1ALDH1A1MAPK1
SCHEMBL27659172 0.72 MEN1 (0.57) MAPTKMT2AMEN1ALDH1A1MAPK1
Nitrobenzene SCHEMBL27297587 0.72 ALDH1A1 (0.53) MAPTKMT2AMEN1ALDH1A1MAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8182784-B2 Process for the time recovery of sulphate of potash (SOP) from sulphate rich bittern COUNCIL OF SCIENTIFIC & INDUSTRIAL RESEARCH (IN) 2012-05-22 US disclosed
US-20100266482-A1 Process for the Time Recovery of Sulphate of Potash (SOP) From Sulphate Rich Bittern COUNCIL OF SCIENTIFIC & INDUSTRIAL RESEARCH (IN) 2010-10-21 US disclosed
EP-1945567-B1 IMPROVED PROCESS FOR THE RECOVERY OF SULPHATE OF POTASH (SOP) FROM SULPHATE RICH BITTERN COUNCIL SCIENT IND RES (IN) 2010-07-21 EP disclosed
EP-1945567-A1 IMPROVED PROCESS FOR THE RECOVERY OF SULPHATE OF POTASH (SOP) FROM SULPHATE RICH BITTERN COUNCIL OF SCIENTIFIC & INDUSTRIAL RESEARCH (IN) 2008-07-23 EP disclosed
WO-2007054953-A1 IMPROVED PROCESS FOR THE RECOVERY OF SULPHATE OF POTASH (SOP) FROM SULPHATE RICH BITTERN COUNCIL OF SCIENTIFIC & INDUSTRIAL RESEARCH (IN) 2007-05-18 WO disclosed