SCHEMBL3055253

SCHEMBL3055253

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

nearest known ligand 0.44

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.44
HSD17B10 Q99714 1/20 0.44
POLB P06746 1/20 0.42
TDP1 Q9NUW8 5/20 0.41
ALDH1A1 P00352 6/20 0.41
GPR35 Q9HC97 2/20 0.41
MEN1 O00255 3/20 0.38
KMT2A Q03164 3/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.37
NPSR1 Q6W5P4 1/20 0.36

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
SCHEMBL27659172 0.79 MEN1 (0.57) TSHRHSD17B10POLBTDP1ALDH1A1
SCHEMBL1509290 0.77 HSD17B10 (0.54) TSHRHSD17B10POLBTDP1ALDH1A1
SCHEMBL3064665 0.77 MAPT (0.51) TDP1ALDH1A1MEN1KMT2ASMN1; SMN2
SCHEMBL7914079 0.76 MAPT (0.49) TSHRHSD17B10POLBTDP1ALDH1A1
SCHEMBL2676616 0.76 HPGD (0.47) TSHRHSD17B10POLBTDP1ALDH1A1
Ammonia Solution, Strong SCHEMBL28268609 0.76 HSD17B10 (0.52) TSHRHSD17B10POLBTDP1ALDH1A1
SCHEMBL27651310 0.76 HSD17B10 (0.52) TSHRHSD17B10POLBTDP1ALDH1A1
Phosphine SCHEMBL28283987 0.76 HSD17B10 (0.52) TSHRHSD17B10POLBTDP1ALDH1A1
SCHEMBL2676973 0.75 HPGD (0.46) TSHRHSD17B10POLBTDP1ALDH1A1
SCHEMBL11791524 0.74 HSD17B10 (0.50) TSHRHSD17B10POLBTDP1ALDH1A1

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