SCHEMBL28045704

SCHEMBL28045704

O=[N+]([O-])c1cc([N+](=O)[O-])c(N(O)N(c2ccccc2)c2ccccc2)c([N+](=O)[O-])c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MGLL Q99685 1/20 0.46
ATM Q13315 2/20 0.46
TDP1 Q9NUW8 3/20 0.45
TSHR P16473 2/20 0.45
KMT2A Q03164 7/20 0.45
ALDH1A1 P00352 7/20 0.45
MEN1 O00255 6/20 0.45
CRHBP P24387 3/20 0.45
CRHR2 Q13324 3/20 0.45
TLR9 Q9NR96 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
HPGD P15428 3/20 0.42
NPSR1 Q6W5P4 1/20 0.42
CES2 O00748 1/20 0.42
RAB9A P51151 1/20 0.42
MAPK1 P28482 4/20 0.41
MAPT P10636 2/20 0.41
HTT P42858 2/20 0.41
HSP90AA1 P07900 1/20 0.41
LMNA P02545 1/20 0.41

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
SCHEMBL6807736 0.85 MGLL (0.49) MGLLATMTDP1TSHRKMT2A
SCHEMBL38661807 0.81 TDP1 (0.45) MGLLATMTDP1TSHRKMT2A
SCHEMBL6064807 0.78 TDP1 (0.47) MGLLATMTDP1TSHRKMT2A
Benzene SCHEMBL27882820 0.78 TDP1 (0.47) MGLLATMTDP1TSHRKMT2A
SCHEMBL11587767 0.78 ATM (0.51) MGLLATMTDP1TSHRKMT2A
Biphenyl SCHEMBL27513913 0.74 CRHBP (0.45) MGLLATMTDP1TSHRKMT2A
SCHEMBL5954207 0.73 ALDH1A1 (0.50) MGLLATMTDP1TSHRKMT2A
SCHEMBL302395 0.73 MEN1 (0.49) MGLLATMTDP1TSHRKMT2A
SCHEMBL7912447 0.72 MGLL (0.52) MGLLATMTDP1TSHRKMT2A
Water SCHEMBL9709472 0.72 MEN1 (0.48) MGLLATMTDP1TSHRKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114746102-A Curcumin compositions for the therapeutic treatment of metabolic syndrome 萨米-萨宾莎集团有限公司 2022-07-12 CN disclosed
CN-114728876-A Curcumin compositions and their therapeutic potential for treatment of pulmonary fibrosis 萨米-萨宾莎集团有限公司 2022-07-08 CN disclosed
CN-113891657-A Palatable extensively hydrolyzed whey protein hydrolysate 阿拉食品公司 2022-01-04 CN disclosed
CN-105085647-A Natural peptide Pb-CATH2 having anti-infection and antioxidant functions as well as gene and application of peptide UNIV DALIAN TECH 2015-11-25 CN disclosed