SCHEMBL4481213

SCHEMBL4481213

CC1=C(c2ccccc2)C(=O)N[N+]1=O

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 6/20 0.40
PDE4B Q07343 1/20 0.38
GSK3B P49841 3/20 0.38
ALDH1A1 P00352 3/20 0.37
PARP10 Q53GL7 1/20 0.36
PARP11 Q9NR21 1/20 0.36
MAPT P10636 2/20 0.34
MITF O75030 1/20 0.34
HTT P42858 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
POLB P06746 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
CDC25A P30304 1/20 0.33
CDC25B P30305 1/20 0.33
KDM4E B2RXH2 1/20 0.33
PLA2G10 O15496 1/20 0.33
GAA P10253 1/20 0.33
HPGD P15428 1/20 0.33
HSD17B10 Q99714 1/20 0.33
KMT2A Q03164 1/20 0.33

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
SCHEMBL94149 0.65 GSK3B (0.58) PTGS2PDE4BGSK3B
SCHEMBL114611 0.65 PTGS2 (0.67) PTGS2PDE4BGSK3B
SCHEMBL3815134 0.64 PTGS2 (0.65) PTGS2GSK3BPOLBHPGDHSD17B10
SCHEMBL7645920 0.63 KMT2A (0.43) PTGS2PDE4BGSK3BALDH1A1PARP10
SCHEMBL20161110 0.63 PDE4B (0.54) PTGS2PDE4BALDH1A1MAPTMITF
SCHEMBL7258464 0.63 PDE4B (0.54) PTGS2PDE4BALDH1A1MAPTMITF
SCHEMBL28257026 0.63 PDE4B (0.54) PTGS2PDE4BALDH1A1MAPTMITF
SCHEMBL9474080 0.63 PTGS2 (0.64) PTGS2GSK3B
SCHEMBL20121190 0.63 PDE4B (0.54) PTGS2PDE4BALDH1A1MAPTMITF
SCHEMBL8783438 0.63 CLK4 (0.43) PTGS2PDE4BGSK3BPARP10PARP11

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
EP-2054033-A2 LIQUID PREPARATION Asubio Pharma Co., Ltd. (JP) 2009-05-06 EP disclosed
WO-2008016165-A2 LIQUID PREPARATION ASUBIO PHARMA CO., LTD. (JP) 2008-02-07 WO disclosed