SCHEMBL973134

SCHEMBL973134

CS(=O)(=O)c1cc([N+](=O)[O-])[c]c([N+](=O)[O-])c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.43
MAPT P10636 2/20 0.43
MEN1 O00255 2/20 0.43
PKM P14618 2/20 0.43
KMT2A Q03164 2/20 0.43
KDM4E B2RXH2 1/20 0.43
MAPK1 P28482 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
PTGS2 P35354 4/20 0.38
LMNA P02545 2/20 0.38
GAA P10253 1/20 0.38
ERN1 O75460 1/20 0.36
ENPP2 Q13822 1/20 0.35
POLB P06746 1/20 0.35
KCNJ1 P48048 1/20 0.34
KCNH2 Q12809 1/20 0.34
ALDH3A1 P30838 2/20 0.34
HPGD P15428 1/20 0.34
ALOX12 P18054 1/20 0.34
HTT P42858 1/20 0.34

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
SCHEMBL4362006 0.77 ALDH1A1 (0.38) ALDH1A1MAPTPKMPTGS2LMNA
SCHEMBL1171984 0.74 CYP19A1 (0.52) ALDH1A1MAPTMEN1PKMKMT2A
SCHEMBL4086848 0.74 KMT2A (0.48) ALDH1A1MAPTMEN1PKMKMT2A
SCHEMBL28325618 0.71 ALDH1A1 (0.51) ALDH1A1MAPTMEN1PKMKMT2A
SCHEMBL18479 0.70 CYP19A1 (0.52) ALDH1A1MAPTMEN1KMT2AKDM4E
SCHEMBL18780665 0.69 ALDH1A1 (0.53) ALDH1A1MAPTMEN1PKMKMT2A
SCHEMBL28195381 0.69 ERN1 (0.37) ALDH1A1MEN1KMT2ATDP1LMNA
SCHEMBL972823 0.68 KCNJ1 (0.39) ALDH1A1MAPTMEN1PKMKMT2A
SCHEMBL6047879 0.68 MAPK1 (0.43) ALDH1A1MAPTMEN1PKMKMT2A
SCHEMBL5379822 0.68 GABRA1 (0.39) ALDH1A1MAPTMEN1KMT2AMAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8568685-B2 Separation of nanostructures MASSACHUSETTS INSTITUTE OF TECHNOLOGY (US) 2013-10-29 US disclosed
US-20110011773-A1 Separation of Nanostructures MASSACHUSETTS INSTITUTE OF TECHNOLOGY 2011-01-20 US disclosed
EP-2225174-A2 SEPARATION OF NANOSTRUCTURES Massachusetts Institute of Technology (US) 2010-09-08 EP disclosed
WO-2009070240-A2 SEPARATION OF NANOSTRUCTURES MASSACHUSETTS INSTITUTE OF TECHNOLOGY (US) 2009-06-04 WO disclosed