SCHEMBL9646335

SCHEMBL9646335

CCC(Cl)OS(=O)(=O)c1cccc([N+](=O)[O-])c1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.53
GAA P10253 1/20 0.53
HTT P42858 1/20 0.53
PRMT5 O14744 1/20 0.51
WDR77 Q9BQA1 1/20 0.51
CA2 P00918 3/20 0.50
CA5A P35218 1/20 0.50
MEN1 O00255 2/20 0.49
MAPT P10636 2/20 0.47
MMP2 P08253 2/20 0.47
CA1 P00915 1/20 0.47
MMP1 P03956 1/20 0.47
MMP9 P14780 1/20 0.47
MMP8 P22894 1/20 0.47
MMP13 P45452 1/20 0.47
F2 P00734 3/20 0.45
PRSS1 P07477 3/20 0.45
PRSS2 P07478 3/20 0.45
PRSS3 P35030 3/20 0.45
CYP19A1 P11511 1/20 0.45

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
SCHEMBL19469344 0.81 KMT2A (0.60) KMT2AGAAHTTPRMT5WDR77
SCHEMBL13969656 0.79 PRMT5 (0.64) KMT2AGAAHTTPRMT5WDR77
SCHEMBL8118078 0.76 KMT2A (0.66) KMT2AGAAHTTPRMT5WDR77
SCHEMBL1317032 0.76 KMT2A (0.66) KMT2AGAAHTTPRMT5WDR77
SCHEMBL8264853 0.76 PRMT5 (0.61) KMT2AGAAHTTPRMT5WDR77
SCHEMBL9101862 0.76 KMT2A (0.53) KMT2AGAAHTTPRMT5WDR77
SCHEMBL28261651 0.75 KMT2A (0.64) KMT2AGAAHTTPRMT5WDR77
SCHEMBL6114507 0.75 PRMT5 (0.68) KMT2AGAAHTTPRMT5WDR77
SCHEMBL25725225 0.75 PRMT5 (0.60) KMT2AGAAHTTPRMT5WDR77
SCHEMBL9242663 0.75 KMT2A (0.55) KMT2AGAAHTTPRMT5WDR77

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-0512020-A1 PROCESS FOR PREPARING HOMOCHIRAL AMINES AND PROCESS FOR PREPARING INTERMEDIATES FOR THE PREPARATION THEREOF Nobel Chemicals AB (SE) 1992-11-11 EP disclosed
WO-1991010642-A1 PROCESS FOR PREPARING HOMOCHIRAL AMINES AND PROCESS FOR PREPARING INTERMEDIATES FOR THE PREPARATION THEREOF, AND THE INTERMEDIATES PREPARED IN ACCORDANCE WITH THIS PROCESS NOBEL CHEMICALS AB (SE) 1991-07-25 WO disclosed