SCHEMBL9562007

SCHEMBL9562007

NCC(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)NS(=O)(=O)c1ccc(N)cc1

nearest known ligand 0.52

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
NLRP3 Q96P20 1/20 0.52
ALDH1A1 P00352 3/20 0.48
CA2 P00918 4/20 0.47
CA1 P00915 3/20 0.47
MEN1 O00255 2/20 0.46
KMT2A Q03164 2/20 0.46
L3MBTL1 Q9Y468 2/20 0.46
BCL2 P10415 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
CHRND Q07001 6/20 0.43
CHRNA1 P02708 2/20 0.43
CHRNG P07510 2/20 0.43
CHRNB1 P11230 2/20 0.43
GRIA1 P42261 1/20 0.42
MME P08473 1/20 0.42
DHFR P00374 1/20 0.42
TSHR P16473 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
TDP1 Q9NUW8 1/20 0.42

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
SCHEMBL4449626 0.76 MME (0.53) CA2CA1KMT2AMME
SCHEMBL29822475 0.75 MME (0.56) CA2CA1CHRNDCHRNA1CHRNG
SCHEMBL3972183 0.74 EGFR (0.63) ALDH1A1DHFRTSHRSMN1; SMN2TDP1
SCHEMBL30367266 0.74 ENPEP (0.52) CA2CA1CHRNDCHRNA1CHRNG
SCHEMBL7110125 0.74 ACE (0.60) CA2CA1CHRNDCHRNA1CHRNG
SCHEMBL479126 0.74 ACE (0.60) CA2CA1CHRNDCHRNA1CHRNG
SCHEMBL4386989 0.74 PTPN2 (0.52) CA1CHRNDCHRNA1CHRNGCHRNB1
SCHEMBL479125 0.74 ACE (0.60) CA2CA1CHRNDCHRNA1CHRNG
SCHEMBL5594950 0.74 PTPN2 (0.52) CA1CHRNDCHRNA1CHRNGCHRNB1
SCHEMBL3459805 0.74 ACE (0.60) CA2CA1CHRNDCHRNA1CHRNG

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0539530-A4 PURIFICATION DIRECTED CLONING OF PEPTIDES. 1993-09-15 EP disclosed
EP-0539530-A1 PURIFICATION DIRECTED CLONING OF PEPTIDES BIONEBRASKA, INC. (US) 1993-05-05 EP disclosed
WO-1992001707-A1 PURIFICATION DIRECTED CLONING OF PEPTIDES BIONEBRASKA, INC. (US) 1992-02-06 WO disclosed