SCHEMBL28056581

SCHEMBL28056581

[CH2]c1ccc([N+](=O)[O-])cc1-c1ccccc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 2/20 0.56
POLB P06746 1/20 0.55
RAB9A P51151 1/20 0.55
PTGDR2 Q9Y5Y4 1/20 0.54
PTPRC P08575 3/20 0.51
S100A4 P26447 2/20 0.51
BCHE P06276 1/20 0.51
ACHE P22303 1/20 0.51
CES1 P23141 1/20 0.51
NR1H2 P55055 1/20 0.50
NR1H3 Q13133 1/20 0.50
ALDH1A1 P00352 4/20 0.49
TDP1 Q9NUW8 1/20 0.48
LMNA P02545 3/20 0.48
MYC P01106 1/20 0.48
MAX P61244 1/20 0.48
MEN1 O00255 1/20 0.48
KMT2A Q03164 1/20 0.48
CYP19A1 P11511 1/20 0.47
ELANE P08246 1/20 0.47

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
SCHEMBL28207049 0.85 PTGS2 (0.73) PTGS2POLBRAB9APTGDR2PTPRC
SCHEMBL6391559 0.85 PTGS2 (0.69) PTGS2POLBRAB9APTGDR2PTPRC
SCHEMBL5935200 0.81 PTGS2 (0.56) PTGS2POLBRAB9APTGDR2PTPRC
SCHEMBL10448853 0.81 PTGS2 (0.74) PTGS2POLBRAB9APTGDR2PTPRC
SCHEMBL10904251 0.81 ALDH1A1 (0.63) PTGS2POLBRAB9APTGDR2PTPRC
SCHEMBL536487 0.80 MEN1 (0.59) PTGS2POLBRAB9APTGDR2ALDH1A1
SCHEMBL629839 0.80 PTGS2 (0.59) PTGS2POLBRAB9APTGDR2PTPRC
SCHEMBL5935201 0.80 PTGS2 (0.55) PTGS2POLBRAB9APTGDR2PTPRC
SCHEMBL10508753 0.80 PTGS2 (0.55) PTGS2POLBRAB9APTGDR2PTPRC
SCHEMBL6573092 0.80 PTGS2 (0.55) PTGS2POLBRAB9APTGDR2PTPRC

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
CN-105294415-A Preparation method of 3-halogenated fluorenone compound YANTAI GEM CHEMICALS CO LTD 2016-02-03 CN disclosed