SCHEMBL11357956

SCHEMBL11357956

C=CC(Sc1ccccc1[N+](=O)[O-])c1c(C(=O)O)ccc(C(=O)O)c1C(C=C)Sc1ccccc1[N+](=O)[O-]

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 5/20 0.49
▸ KDM4E B2RXH2 4/20 0.49
▸ ALDH1A1 P00352 3/20 0.49
▸ MEN1 O00255 2/20 0.49
▸ KMT2A Q03164 2/20 0.49
▸ GAA P10253 1/20 0.49
▸ LMNA P02545 2/20 0.43
▸ HTT P42858 1/20 0.43
▸ TSHR P16473 1/20 0.40
▸ SLC6A2 P23975 1/20 0.40
▸ SLC6A4 P31645 1/20 0.40
▸ SLC6A3 Q01959 1/20 0.40
▸ GSTP1 P09211 1/20 0.39
▸ GSTM2 P28161 1/20 0.39
▸ PDE7A Q13946 1/20 0.38
▸ SMN1; SMN2 Q16637 1/20 0.38
▸ NPSR1 Q6W5P4 1/20 0.38
▸ ASPH Q12797 1/20 0.37
▸ KDM8 Q8N371 1/20 0.37
▸ DTYMK P23919 1/20 0.37

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
SCHEMBL11352637 1.00 MAPT (0.49) MAPTKDM4EALDH1A1MEN1KMT2A
SCHEMBL11303911 0.80 MAPT (0.52) MAPTKDM4EALDH1A1MEN1KMT2A
SCHEMBL11365205 0.79 POLB (0.38) MAPTKDM4EALDH1A1MEN1KMT2A
SCHEMBL11297858 0.77 MEN1 (0.49) MAPTKDM4EALDH1A1MEN1KMT2A
SCHEMBL11308852 0.75 PDE7A (0.45) MAPTKDM4EALDH1A1MEN1KMT2A
SCHEMBL11297851 0.72 MAPT (0.49) MAPTKDM4EALDH1A1MEN1KMT2A
SCHEMBL11297209 0.72 MAPT (0.49) MAPTKDM4EALDH1A1MEN1KMT2A
SCHEMBL11292807 0.72 MAPT (0.49) MAPTKDM4EALDH1A1MEN1KMT2A
SCHEMBL2028311 0.70 SLC6A2 (0.68) MAPTKDM4EALDH1A1MEN1KMT2A
SCHEMBL3715267 0.70 MAPT (0.53) MAPTKDM4EALDH1A1MEN1KMT2A

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-4342859-A Bis(aminophenylthioalkyl)terephthalate and hardener for polyurethane elastomer thereof IHARA CHEMICAL INDUSTRY CO., LTD. (JP) 1982-08-03 — — US disclosed
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