SCHEMBL2028581

SCHEMBL2028581

O=C(OC(c1ccccc1)c1c([N+](=O)[O-])ccc(-c2ccccc2)c1[N+](=O)[O-])C(Cl)(Cl)Cl

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 3/20 0.37
ALDH1A1 P00352 3/20 0.37
MEN1 O00255 1/20 0.36
PSMD14 O00487 1/20 0.36
PRKACA P17612 1/20 0.36
CASP6 P55212 1/20 0.36
KMT2A Q03164 1/20 0.36
FBP1 P09467 2/20 0.35
MAPT P10636 3/20 0.33
MAPK1 P28482 1/20 0.33
LMNA P02545 1/20 0.32
CYP1A2 P05177 2/20 0.32
CRHBP P24387 1/20 0.32
CRHR2 Q13324 1/20 0.32
KDM4E B2RXH2 1/20 0.32
HPRT1 P00492 1/20 0.32
TSHR P16473 2/20 0.31
NPSR1 Q6W5P4 1/20 0.31
APP P05067 1/20 0.31
GSR P00390 1/20 0.31

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
SCHEMBL2034196 0.91 FBP1 (0.40) ALDH1A1MEN1KMT2AFBP1MAPT
SCHEMBL2034944 0.90 MAPT (0.33) TDP1ALDH1A1MEN1PSMD14PRKACA
SCHEMBL2034235 0.86 ABCB1 (0.39) TDP1ALDH1A1LMNATSHR
SCHEMBL2034070 0.86 VCAM1 (0.37) TDP1ALDH1A1MEN1KMT2AMAPT
SCHEMBL2029853 0.85 ALDH1A1 (0.34) TDP1ALDH1A1MEN1KMT2AMAPT
SCHEMBL2034068 0.85 MEN1 (0.37) TDP1ALDH1A1MEN1CASP6KMT2A
SCHEMBL5583481 0.84 TSHR (0.40) TDP1ALDH1A1MEN1KMT2AMAPT
SCHEMBL2052797 0.83 HCAR3 (0.38) ALDH1A1MEN1KMT2AMAPTMAPK1
SCHEMBL2028578 0.82 HCAR3 (0.42) TDP1ALDH1A1MEN1KMT2AFBP1
SCHEMBL2031731 0.81 POLB (0.43) TDP1ALDH1A1MEN1KMT2AMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7956011-B2 Materials and methods for the photodirected synthesis of oligonucleotide arrays THE INSTITUTE OF CANCER RESEARCH: ROYAL CANCER HOSPITAL (GB) 2011-06-07 US claimed