SCHEMBL7980773

SCHEMBL7980773

COC(=O)[C@H](Cc1ccc(OS(=O)(=O)F)cc1)NS(=O)(=O)c1ccc2ccccc2c1

nearest known ligand 0.55

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
F2 P00734 7/20 0.55
MEN1 O00255 1/20 0.49
KMT2A Q03164 1/20 0.49
BACE1 P56817 1/20 0.48
POLB P06746 3/20 0.48

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
SCHEMBL7983820 0.90 F2 (0.53) F2MEN1KMT2ABACE1POLB
SCHEMBL7984105 0.87 BACE1 (0.62) F2MEN1KMT2ABACE1POLB
SCHEMBL7983165 0.86 F2 (0.52) F2MEN1KMT2ABACE1
SCHEMBL7983901 0.83 F2 (0.55) F2BACE1POLB
SCHEMBL8647491 0.81 MMP2 (0.69) F2POLB
SCHEMBL8389137 0.81 MMP2 (0.69) F2POLB
SCHEMBL3927017 0.79 BACE1 (0.76) F2BACE1POLB
SCHEMBL7970488 0.78 POLB (0.54) MEN1KMT2APOLB
SCHEMBL7298511 0.78 F2 (0.55) F2BACE1POLB
SCHEMBL1770779 0.78 LARS1 (0.58) F2POLB

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-6284912-B1 Process for synthesizing para-and/or meta-substituted cyanophenyalanine derivatives LG CHEMICAL, LTD. (KR) 2001-09-04 US claimed