SCHEMBL7308843

SCHEMBL7308843

COC(=O)C1=C[N+]=NN=C1C(=O)OC

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 1/20 0.34
ALDH1A1 P00352 4/20 0.32
KDM4E B2RXH2 3/20 0.32
SMN1; SMN2 Q16637 3/20 0.32
L3MBTL1 Q9Y468 2/20 0.32
PKM P14618 1/20 0.32
TSHR P16473 1/20 0.31
CA12 O43570 3/20 0.31
CA1 P00915 3/20 0.31
CA2 P00918 3/20 0.31
CA7 P43166 3/20 0.31
CA9 Q16790 3/20 0.31
CA14 Q9ULX7 3/20 0.31
TDP1 Q9NUW8 1/20 0.31
MAPT P10636 2/20 0.30
NPC1 O15118 1/20 0.30
NFKB1 P19838 1/20 0.30
RAB9A P51151 1/20 0.30
NFKB2 Q00653 1/20 0.30
RELA Q04206 1/20 0.30

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
SCHEMBL7310457 0.68
SCHEMBL7308837 0.59 NPSR1 (0.34) NPSR1ALDH1A1KDM4EL3MBTL1TSHR
SCHEMBL819613 0.59 CHRM3 (0.42) NPSR1ALDH1A1KDM4EL3MBTL1TSHR
SCHEMBL10937960 0.57 CHRM3 (0.45) NPSR1ALDH1A1KDM4EL3MBTL1TSHR
SCHEMBL22362537 0.57 TSHR (0.41) NPSR1ALDH1A1KDM4EL3MBTL1TSHR
SCHEMBL10639650 0.57 TSHR (0.41) NPSR1ALDH1A1KDM4EL3MBTL1TSHR
SCHEMBL6850637 0.56 SETD7 (0.51) NPSR1ALDH1A1KDM4EL3MBTL1PKM
SCHEMBL9034755 0.55 MAPK1 (0.48) NPSR1ALDH1A1KDM4ESMN1; SMN2MAPT
SCHEMBL10260335 0.53 CA1 (0.57) NPSR1ALDH1A1KDM4ESMN1; SMN2L3MBTL1
SCHEMBL19387238 0.53 CA1 (0.70) ALDH1A1KDM4EL3MBTL1TSHRCA12

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
US-5596012-A Saccharin derivatives useful as proteolytic enzyme inhibitors and compositions and method of use thereof STERLING WINTHROP INC. (US) 1997-01-21 US claimed
US-5371074-A Use of saccharin derivatives as proteolytic enzyme inhibitors STERLING WINTHROP INC. (US) 1994-12-06 US claimed
EP-0542372-A1 2-Substituted saccharin derivative proteolytic enzyme inhibitors STERLING WINTHROP INC. (US) 1993-05-19 EP claimed