SCHEMBL7981740

SCHEMBL7981740

COC(=O)[C@H](Cc1ccc(C#N)cc1)NS(=O)(=O)c1ccccc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MMP2 P08253 6/20 0.56
MMP9 P14780 5/20 0.56
POLB P06746 1/20 0.56
MEN1 O00255 1/20 0.52
KMT2A Q03164 1/20 0.52
CTSL P07711 5/20 0.51
CTSS P25774 5/20 0.51
CA12 O43570 2/20 0.51
CA7 P43166 2/20 0.51
CA9 Q16790 2/20 0.51
CA14 Q9ULX7 2/20 0.51
CA2 P00918 1/20 0.51
EEF2K O00418 1/20 0.51
CTSK P43235 4/20 0.50
ADAMTS4 O75173 2/20 0.50
CTSB P07858 2/20 0.49
ALDH1A1 P00352 1/20 0.48
MAPT P10636 1/20 0.48
MMP13 P45452 1/20 0.47
ANPEP P15144 1/20 0.47

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
SCHEMBL7984346 0.89 TDP1 (0.56) MMP2MMP9POLBCTSLEEF2K
SCHEMBL27568136 0.87 POLB (0.70) MMP2MMP9POLBMEN1KMT2A
SCHEMBL7983901 0.87 F2 (0.55) MMP2MMP9POLB
SCHEMBL13226933 0.85 POLB (0.60) MMP2MMP9POLBMEN1KMT2A
SCHEMBL7984123 0.85 POLB (0.60) MMP2MMP9POLBMEN1KMT2A
SCHEMBL8057955 0.85 TDP1 (0.62) MMP2MMP9POLBMEN1KMT2A
SCHEMBL13208269 0.82 ALDH1A1 (0.72) MMP2MMP9POLBMEN1KMT2A
SCHEMBL15943338 0.81 MMP2 (0.75) MMP2MMP9POLBMEN1KMT2A
SCHEMBL14534184 0.80 CTSL (0.67) MMP2MMP9POLBMEN1KMT2A
SCHEMBL20335144 0.80 CTSL (0.67) MMP2MMP9POLBMEN1KMT2A

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
US-6284912-B1 Process for synthesizing para-and/or meta-substituted cyanophenyalanine derivatives LG CHEMICAL, LTD. (KR) 2001-09-04 US disclosed
EP-1043309-A1 Process for synthesizing para-and/or meta-substituted cyanophenylalanine derivatives LG Chemical Ltd. (KR) 2000-10-11 EP disclosed