SCHEMBL7727416

SCHEMBL7727416

C#CCOS(=O)(=O)c1ccccc1.O=[N+]([O-])c1cccc(S(=O)(=O)OCC2CO2)c1

nearest known ligand 0.77

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PRMT5 O14744 1/20 0.77
WDR77 Q9BQA1 1/20 0.77
KMT2A Q03164 2/20 0.41
GAA P10253 1/20 0.41
HTT P42858 1/20 0.41
CA2 P00918 3/20 0.40
CA5A P35218 1/20 0.40
MEN1 O00255 1/20 0.39
PGR P06401 1/20 0.38
LMNA P02545 1/20 0.38
MMP2 P08253 2/20 0.38
CA12 O43570 1/20 0.38
CA9 Q16790 1/20 0.38
CA1 P00915 1/20 0.38
MMP1 P03956 1/20 0.38
MMP9 P14780 1/20 0.38
MMP8 P22894 1/20 0.38
MMP13 P45452 1/20 0.38
ALDH1A1 P00352 2/20 0.37
AR P10275 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
SCHEMBL336605 0.88 PRMT5 (1.00) PRMT5WDR77KMT2AGAAHTT
SCHEMBL29476299 0.88 PRMT5 (1.00) PRMT5WDR77KMT2AGAAHTT
SCHEMBL449928 0.88 PRMT5 (1.00) PRMT5WDR77KMT2AGAAHTT
SCHEMBL29481767 0.88 PRMT5 (1.00) PRMT5WDR77KMT2AGAAHTT
SCHEMBL30301224 0.88 PRMT5 (1.00) PRMT5WDR77KMT2AGAAHTT
SCHEMBL336603 0.88 PRMT5 (1.00) PRMT5WDR77KMT2AGAAHTT
SCHEMBL28692108 0.79 PRMT5 (0.81) PRMT5WDR77KMT2AGAAHTT
SCHEMBL29481804 0.79 PRMT5 (0.81) PRMT5WDR77KMT2AGAAHTT
SCHEMBL28711197 0.79 PRMT5 (0.81) PRMT5WDR77KMT2AGAAHTT
SCHEMBL29502671 0.79 PRMT5 (0.81) 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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1015479-A4 COMBINATORIAL LIBRARIES OF PEPTIDOMIMETIC MACROCYCLES AND PROCESSES THEREFOR LILLY CO ELI (US) 2002-07-24 EP disclosed
EP-1015479-A1 COMBINATORIAL LIBRARIES OF PEPTIDOMIMETIC MACROCYCLES AND PROCESSES THEREFOR ELI LILLY AND COMPANY (US) 2000-07-05 EP disclosed
EP-0880558-A1 COMBINATORIAL PROCESS FOR PREPARING SUBSTITUTED INDANE LIBRARIES ELI LILLY AND COMPANY (US) 1998-12-02 EP disclosed
WO-1998046631-A1 COMBINATORIAL LIBRARIES OF PEPTIDOMIMETIC MACROCYCLES AND PROCESSES THEREFOR ELI LILLY AND COMPANY (US) 1998-10-22 WO disclosed
WO-1998008813-A1 COMBINATORIAL PROCESS FOR PREPARING SUBSTITUTED PYRROLIDINE LIBRARIES ELI LILLY AND COMPANY (US) 1998-03-05 WO disclosed
WO-1997026300-A1 COMBINATORIAL PROCESS FOR PREPARING SUBSTITUTED INDANE LIBRARIES ELI LILLY AND COMPANY (US) 1997-07-24 WO disclosed