SCHEMBL8416170

SCHEMBL8416170

CCC1CCC(OS(=O)(=O)c2cccc([N+](=O)[O-])c2)CC1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PRMT5 O14744 1/20 0.53
WDR77 Q9BQA1 1/20 0.53
KMT2A Q03164 3/20 0.48
GAA P10253 1/20 0.48
HTT P42858 1/20 0.48
FKBP1A P62942 1/20 0.47
ACHE P22303 1/20 0.47
MAPT P10636 1/20 0.46
CA2 P00918 2/20 0.46
CA5A P35218 1/20 0.46
F2 P00734 2/20 0.45
MEN1 O00255 1/20 0.45
CYP19A1 P11511 1/20 0.44
LMNA P02545 1/20 0.43
CA1 P00915 1/20 0.43
MMP1 P03956 1/20 0.43
MMP2 P08253 1/20 0.43
MMP9 P14780 1/20 0.43
MMP8 P22894 1/20 0.43
MMP13 P45452 1/20 0.43

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
SCHEMBL8416166 1.00 PRMT5 (0.53) PRMT5WDR77KMT2AGAAHTT
SCHEMBL19469359 0.90 PRMT5 (0.59) PRMT5WDR77KMT2AGAAHTT
SCHEMBL9099702 0.83 PRMT5 (0.55) PRMT5WDR77KMT2AGAAHTT
SCHEMBL8415137 0.83 PRMT5 (0.50) PRMT5WDR77KMT2AGAAHTT
SCHEMBL8415133 0.83 PRMT5 (0.50) PRMT5WDR77KMT2AGAAHTT
SCHEMBL13969656 0.80 PRMT5 (0.64) PRMT5WDR77KMT2AGAAHTT
SCHEMBL19469375 0.80 ACHE (0.54) PRMT5WDR77KMT2AGAAHTT
SCHEMBL8266069 0.76 PRMT5 (0.59) PRMT5WDR77KMT2AGAAHTT
SCHEMBL8264853 0.75 PRMT5 (0.61) PRMT5WDR77KMT2AGAAHTT
SCHEMBL19185361 0.74 PRMT5 (0.61) PRMT5WDR77KMT2AGAAHTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5877322-A Substituted pyridines, their preparation, and their use as pesticides and fungicides HOECHST SCHERING AGREVO GMBH (DE) 1999-03-02 US disclosed
EP-0719257-A1 SUBSTITUTED PYRIDINES, PROCESS FOR PRODUCING THEM AND THEIR USE AS PESTICIDES AND FUNGICIDES Hoechst Schering AgrEvo GmbH (DE) 1996-07-03 EP disclosed
WO-1995007892-A1 SUBSTITUTED PYRIDINES, PROCESS FOR PRODUCING THEM AND THEIR USE AS PESTICIDES AND FUNGICIDES HOECHST SCHERING AGREVO GMBH (DE) 1995-03-23 WO disclosed