SCHEMBL8920506

SCHEMBL8920506

CCOC(=O)C(CSCc1ccccc1)NS(=O)(=O)c1ccc(C)cc1

nearest known ligand 0.53

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CTSL P07711 1/20 0.53
MAPT P10636 2/20 0.52
MEN1 O00255 1/20 0.52
KMT2A Q03164 1/20 0.52
PLAU P00749 1/20 0.49
HPN P05981 1/20 0.49
METAP2 P50579 1/20 0.49
MMP2 P08253 5/20 0.48
MMP9 P14780 4/20 0.48
MMP13 P45452 4/20 0.48
MMP3 P08254 2/20 0.48
MMP1 P03956 1/20 0.48
MMP7 P09237 1/20 0.48
ALDH1A1 P00352 3/20 0.47
BACE1 P56817 1/20 0.47
TDP1 Q9NUW8 1/20 0.46
HTT P42858 1/20 0.46
CA2 P00918 1/20 0.46
CA7 P43166 1/20 0.46

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
SCHEMBL8920514 1.00 CTSL (0.53) CTSLMAPTMEN1KMT2APLAU
SCHEMBL8920959 0.81 METAP2 (0.52) MAPTMEN1KMT2APLAUHPN
SCHEMBL8458621 0.81 METAP2 (0.50) METAP2
SCHEMBL30988968 0.78 GAA (0.55) CTSLKMT2AMMP2MMP9MMP13
SCHEMBL28554116 0.78 GAA (0.55) CTSLKMT2AMMP2MMP9MMP13
SCHEMBL2238427 0.77 METAP2 (0.53) METAP2
SCHEMBL16312116 0.77 TDP1 (0.54) MAPTMEN1KMT2AMMP2MMP9
SCHEMBL7835649 0.76 GAA (0.52) CTSLKMT2APLAUHPNMMP2
SCHEMBL14011605 0.76 GAA (0.52) CTSLKMT2APLAUHPNMMP2
SCHEMBL4040020 0.76 GAA (0.52) CTSLKMT2APLAUHPNMMP2

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-5684137-A TECHNETIUM AND RHENIUM LABELS FOR LIGANDS AND PROTEINS NEORX CORPORATION (US) 1997-11-04 US disclosed
US-5252721-A S3 N chelating compounds NEORX CORPORATION (US) 1993-10-12 US disclosed