SCHEMBL7290036

SCHEMBL7290036

O=C(O)[C@H](Cc1ccccc1)NS(=O)(=O)NN1CCCC1

nearest known ligand 0.60

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ MMP2 P08253 8/20 0.52
▸ MMP9 P14780 6/20 0.52
▸ ADAMTS4 O75173 1/20 0.52
▸ ALDH1A1 P00352 3/20 0.51
▸ MEN1 O00255 1/20 0.51
▸ KMT2A Q03164 1/20 0.51
▸ HSD17B10 Q99714 1/20 0.50
▸ POLB P06746 3/20 0.49
▸ ADAMTS5 Q9UNA0 1/20 0.47
▸ MAPT P10636 1/20 0.47
▸ MMP1 P03956 1/20 0.47
▸ MMP3 P08254 1/20 0.47
▸ MMP7 P09237 1/20 0.47
▸ MMP13 P45452 1/20 0.47
▸ LMNA P02545 1/20 0.47
▸ TP53 P04637 1/20 0.47
▸ HTT P42858 1/20 0.44

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
SCHEMBL7299611 0.88 ALDH1A1 (0.54) MMP2MMP9ADAMTS4ALDH1A1MEN1
SCHEMBL7406797 0.81 ALDH1A1 (0.54) MMP2MMP9ALDH1A1MEN1KMT2A
SCHEMBL7406800 0.81 ALDH1A1 (0.54) MMP2MMP9ALDH1A1MEN1KMT2A
SCHEMBL4698163 0.80 ALDH1A1 (0.53) ALDH1A1MEN1KMT2AHSD17B10POLB
SCHEMBL4698160 0.80 ALDH1A1 (0.53) ALDH1A1MEN1KMT2AHSD17B10POLB
SCHEMBL8683934 0.80 ALDH1A1 (0.58) MMP2MMP9ADAMTS4ALDH1A1MEN1
SCHEMBL7439451 0.79 TSHR (0.47) MMP2MMP9ALDH1A1MEN1KMT2A
SCHEMBL7436034 0.77 MEN1 (0.48) ALDH1A1MEN1KMT2A
SCHEMBL25386615 0.76 POLB (0.56) MMP2MMP9ALDH1A1KMT2AHSD17B10
SCHEMBL7299545 0.75 ALDH1A1 (0.56) ALDH1A1MEN1KMT2AHSD17B10POLB

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
US-5288851-A Reacting two equivalents of sulfamyl chloride with one of amino acid in inorganic aqueous base and water miscible organic solvent, coupling product with peptide fragment WARNER-LAMBERT COMPANY (US) 1994-02-22 — — US disclosed
US-5162527-A Peptides WARNER-LAMBERT COMPANY (US) 1992-11-10 — — US disclosed
US-5063207-A Cardiovascular disorders WARNER-LAMBERT COMPANY (US) 1991-11-05 — — US disclosed
EP-0389535-A1 RENIN INHIBITORS, PROCESSES FOR PREPARING THEM, METHODS FOR USING THEM, AND COMPOSITIONS CONTAINING THEM WARNER-LAMBERT COMPANY (US) 1990-10-03 — — EP disclosed
WO-1989003841-A1 RENIN INHIBITORS, PROCESSES FOR PREPARING THEM, METHODS FOR USING THEM, AND COMPOSITIONS CONTAINING THEM WARNER-LAMBERT COMPANY (US) 1989-05-05 — — WO disclosed
EP-0314060-A2 Renin inhibitors, processes for preparing them, methods for using them, and compositions containing them WARNER-LAMBERT COMPANY (US) 1989-05-03 — — EP disclosed
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