SCHEMBL6047879

SCHEMBL6047879

COc1cc([N+](=O)[O-])[c]c([N+](=O)[O-])c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 4/20 0.43
MAPT P10636 4/20 0.43
MEN1 O00255 3/20 0.43
KMT2A Q03164 3/20 0.43
KDM4E B2RXH2 2/20 0.43
G6PD P11413 1/20 0.43
PKM P14618 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
RXFP1 Q9HBX9 1/20 0.43
APOBEC3G Q9HC16 1/20 0.43
PTGS1 P23219 1/20 0.43
PTGS2 P35354 1/20 0.43
ALDH1A1 P00352 4/20 0.42
CYP19A1 P11511 1/20 0.39
LMNA P02545 2/20 0.37
NFE2L2 Q16236 1/20 0.37
HTT P42858 3/20 0.36
FBP1 P09467 2/20 0.36
APP P05067 1/20 0.36
SMN1; SMN2 Q16637 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
SCHEMBL445246 0.76 ALDH1A1 (0.41) MAPK1MAPTMEN1KMT2AKDM4E
SCHEMBL896232 0.75 LMNA (0.36) MAPK1MAPTMEN1KMT2AKDM4E
SCHEMBL309863 0.73 LMNA (0.61) MAPK1MAPTMEN1KMT2AKDM4E
SCHEMBL8008016 0.73 PTGS1 (0.59) MAPK1MAPTMEN1KMT2AKDM4E
SCHEMBL10332372 0.72 TSHR (0.41) MEN1KMT2APTGS1PTGS2ALDH1A1
SCHEMBL18479 0.72 CYP19A1 (0.52) MAPK1MAPTMEN1KMT2AKDM4E
SCHEMBL28195381 0.70 ERN1 (0.37) MEN1KMT2AALDH1A1CYP19A1LMNA
SCHEMBL6889537 0.70 PKM (0.43) MAPK1MAPTKDM4EPKMNPSR1
SCHEMBL9657631 0.70 MAPT (0.56) MAPK1MAPTMEN1KMT2AKDM4E
SCHEMBL9732800 0.70 ALDH1A1 (0.50) MAPK1MAPTMEN1KMT2AKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2006117556-A2 MATERIALS AND METHODS FOR THE PHOTODIRECTED SYNTHESIS OF OLIGONUCLEOTIDE ARRAYS THE INSTITUTE OF CANCER RESEARCH: ROYAL CANCER HOSPITAL (GB) 2006-11-09 WO claimed
WO-2006117556-A2 MATERIALS AND METHODS FOR THE PHOTODIRECTED SYNTHESIS OF OLIGONUCLEOTIDE ARRAYS THE INSTITUTE OF CANCER RESEARCH: ROYAL CANCER HOSPITAL (GB) 2006-11-09 WO disclosed