SCHEMBL7526144

SCHEMBL7526144

NCCCCC(C(=O)OCc1c([N+](=O)[O-])cccc1[N+](=O)[O-])=C(N)C(=O)OCc1c([N+](=O)[O-])cccc1[N+](=O)[O-]

nearest known ligand 0.36

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KAT2B Q92831 2/20 0.36
LMNA P02545 1/20 0.34
CTSD P07339 1/20 0.33
GPR35 Q9HC97 1/20 0.33
ALDH1A1 P00352 4/20 0.32
KDM4E B2RXH2 2/20 0.32
SLC9A1 P19634 1/20 0.31
APP P05067 1/20 0.31
F2 P00734 1/20 0.31
PRSS1 P07477 1/20 0.31
PRSS2 P07478 1/20 0.31
PRSS3 P35030 1/20 0.31
HDAC1 Q13547 1/20 0.31
CYP1A2 P05177 1/20 0.31
CYP3A4 P08684 1/20 0.31
CYP2D6 P10635 1/20 0.31
CYP2C9 P11712 1/20 0.31
CYP2C19 P33261 1/20 0.31
L3MBTL1 Q9Y468 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
SCHEMBL7526139 1.00 KAT2B (0.36) KAT2BLMNACTSDGPR35ALDH1A1
SCHEMBL9243875 0.87 MAOB (0.41) KAT2BLMNAALDH1A1L3MBTL1
SCHEMBL9243868 0.87 MAOB (0.41) KAT2BLMNAALDH1A1L3MBTL1
SCHEMBL16225602 0.82 KAT2B (0.40) KAT2BLMNACTSDGPR35ALDH1A1
SCHEMBL1056792 0.81 KAT2B (0.40) KAT2BLMNACTSDGPR35ALDH1A1
SCHEMBL1057424 0.78 KAT2B (0.41) KAT2BLMNACTSDGPR35ALDH1A1
SCHEMBL6868713 0.76 GPR35 (0.42) KAT2BLMNACTSDGPR35ALDH1A1
SCHEMBL3386491 0.73 MMP2 (0.40) KAT2BALDH1A1L3MBTL1
SCHEMBL1055261 0.73 KAT2B (0.37) KAT2BLMNACTSDGPR35ALDH1A1
SCHEMBL3612829 0.72 KAT2B (0.36) KAT2BLMNACTSDGPR35ALDH1A1

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-0633502-B1 PATTERN FORMING MATERIAL CLARIANT FINANCE BVI LTD (VG) 2002-03-20 EP disclosed
EP-0633502-A1 PATTERN FORMING MATERIAL HOECHST JAPAN LIMITED (JP) 1995-01-11 EP disclosed