SCHEMBL3133576

SCHEMBL3133576

O=[N+]([O-])c1cc([N+](=O)[O-])c(O[N+](=O)c2c([N+](=O)[O-])cc([N+](=O)[O-])cc2[N+](=O)[O-])c([N+](=O)[O-])c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GPR35 Q9HC97 5/20 0.44
ALDH1A1 P00352 5/20 0.44
KMT2A Q03164 4/20 0.44
MEN1 O00255 3/20 0.44
TDP1 Q9NUW8 3/20 0.44
HPGD P15428 2/20 0.44
MAPK1 P28482 2/20 0.44
HIF1A Q16665 2/20 0.44
KDM4E B2RXH2 1/20 0.44
TTR P02766 1/20 0.44
CYP1A2 P05177 1/20 0.44
MAPT P10636 1/20 0.44
CYP2C9 P11712 1/20 0.44
ALOX15 P16050 1/20 0.44
ALOX12 P18054 1/20 0.44
RECQL P46063 1/20 0.44
PMP22 Q01453 1/20 0.44
HSD17B10 Q99714 1/20 0.44
LMNA P02545 1/20 0.43
POLB P06746 1/20 0.43

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
SCHEMBL4973647 0.82 GPR35 (0.48) GPR35ALDH1A1KMT2AMEN1TDP1
SCHEMBL1685023 0.81 KMT2A (0.53) GPR35ALDH1A1KMT2AMEN1TDP1
SCHEMBL17063539 0.80 ALDH1A1 (0.49) GPR35ALDH1A1KMT2AMEN1TDP1
Ammonia Solution, Strong SCHEMBL9736773 0.79 KMT2A (0.51) GPR35ALDH1A1KMT2AMEN1TDP1
SCHEMBL28778187 0.77 GPR35 (0.52) GPR35ALDH1A1KMT2AMEN1TDP1
SCHEMBL8686866 0.77 ALDH1A1 (0.56) GPR35ALDH1A1KMT2AMEN1TDP1
SCHEMBL10901927 0.74 MEN1 (0.68) GPR35ALDH1A1KMT2AMEN1TDP1
SCHEMBL9197700 0.74 ALDH1A1 (0.52) GPR35ALDH1A1KMT2AMEN1TDP1
SCHEMBL225343 0.74 ALDH1A1 (0.50) GPR35ALDH1A1KMT2AMEN1TDP1
SCHEMBL2088687 0.74 GPR35 (0.48) GPR35ALDH1A1KMT2AMEN1TDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4995960-A Used in non-aqueous solution, sensing proteins, cells and viruses PUBLIC HEALTH LABORATORY SERVICE BOARD (GB) 1991-02-26 US claimed
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
EP-0343210-B1 ELECTROCHEMICAL ELECTRODES The Public Health Laboratory Service Board (GB) 1993-04-28 EP disclosed
US-4995960-A Used in non-aqueous solution, sensing proteins, cells and viruses PUBLIC HEALTH LABORATORY SERVICE BOARD (GB) 1991-02-26 US disclosed
EP-0343210-A1 ELECTROCHEMICAL ELECTRODES The Public Health Laboratory Service Board (GB) 1989-11-29 EP disclosed
WO-1989004958-A1 ELECTROCHEMICAL ELECTRODES PUBLIC HEALTH LABORATORY SERVICE BOARD (GB) 1989-06-01 WO disclosed