SCHEMBL2034068

SCHEMBL2034068

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

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 4/20 0.37
KMT2A Q03164 4/20 0.37
THRB P10828 1/20 0.37
ATM Q13315 1/20 0.37
ATR Q13535 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
SMN1; SMN2 Q16637 4/20 0.36
MAPT P10636 5/20 0.34
LMNA P02545 4/20 0.34
HTT P42858 2/20 0.34
KDM4E B2RXH2 1/20 0.32
PPARG P37231 1/20 0.32
PPARA Q07869 1/20 0.32
ALDH1A1 P00352 4/20 0.32
MAPK1 P28482 1/20 0.32
NPSR1 Q6W5P4 2/20 0.32
CYP1A2 P05177 1/20 0.32
TSHR P16473 1/20 0.32
HPGD P15428 1/20 0.32
APP P05067 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
SCHEMBL2034070 0.87 VCAM1 (0.37) MEN1KMT2ATDP1SMN1; SMN2MAPT
SCHEMBL2029853 0.86 ALDH1A1 (0.34) MEN1KMT2ATDP1SMN1; SMN2MAPT
SCHEMBL5583481 0.85 TSHR (0.40) MEN1KMT2ATDP1MAPTHTT
SCHEMBL2028581 0.85 TDP1 (0.37) MEN1KMT2ATDP1MAPTLMNA
SCHEMBL2052797 0.84 HCAR3 (0.38) MEN1KMT2ASMN1; SMN2MAPTLMNA
SCHEMBL2028578 0.83 HCAR3 (0.42) MEN1KMT2ATDP1MAPTALDH1A1
SCHEMBL2032596 0.81 HCAR3 (0.41) MEN1KMT2ATHRBSMN1; SMN2MAPT
SCHEMBL2031731 0.80 POLB (0.43) MEN1KMT2ATHRBTDP1SMN1; SMN2
SCHEMBL2034196 0.79 FBP1 (0.40) MEN1KMT2ASMN1; SMN2MAPTLMNA
SCHEMBL2034278 0.79 MAPT (0.41) MEN1KMT2ATHRBATMATR

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