SCHEMBL7304554

SCHEMBL7304554

[c]1nnc(SCCN2CCOCC2)s1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.42
KDM4E B2RXH2 3/20 0.42
HSP90AA1 P07900 1/20 0.42
RAB9A P51151 2/20 0.39
RXFP1 Q9HBX9 3/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
NPC1 O15118 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
HPGD P15428 3/20 0.38
MAPK1 P28482 2/20 0.38
LMNA P02545 1/20 0.38
TP53 P04637 1/20 0.38
CYP1A2 P05177 1/20 0.38
CYP3A4 P08684 1/20 0.38
CYP2C9 P11712 1/20 0.38
ALOX15 P16050 1/20 0.38
HSD17B10 Q99714 1/20 0.38
SIGMAR1 Q99720 1/20 0.37
KMT2A Q03164 2/20 0.36
MEN1 O00255 1/20 0.36

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
SCHEMBL7311381 0.84 ALOX15 (0.42) ALDH1A1KDM4EL3MBTL1LMNAALOX15
SCHEMBL11657490 0.79 HSP90AA1 (0.50) ALDH1A1KDM4EHSP90AA1RAB9ARXFP1
SCHEMBL8988234 0.77 HSP90AA1 (0.46) ALDH1A1KDM4EHSP90AA1RAB9ARXFP1
Hydrochloric Acid SCHEMBL8655604 0.76 HSP90AA1 (0.45) ALDH1A1KDM4EHSP90AA1RAB9ARXFP1
SCHEMBL7308113 0.73 SIGMAR1 (0.41) ALDH1A1KDM4EL3MBTL1SMN1; SMN2MAPK1
SCHEMBL8706167 0.73 ALDH1A1 (0.42) ALDH1A1KDM4EHSP90AA1RAB9ARXFP1
SCHEMBL6375003 0.73 GRIN2B (0.55) ALDH1A1KDM4EHSP90AA1NPC1SMN1; SMN2
SCHEMBL11685004 0.72 ALDH1A1 (0.51) ALDH1A1KDM4ERAB9ANPC1SMN1; SMN2
SCHEMBL11623381 0.72 RAB9A (0.50) ALDH1A1KDM4EHSP90AA1RAB9ARXFP1
SCHEMBL11657276 0.70 POLB (0.46) KDM4EHSP90AA1SMN1; SMN2SIGMAR1KMT2A

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-5371074-A Use of saccharin derivatives as proteolytic enzyme inhibitors STERLING WINTHROP INC. (US) 1994-12-06 US claimed
US-5773456-A EMPHYSEMA, RHEUMATOID ARTHRITIS AND PANCREATITIS SANOFI (FR) 1998-06-30 US disclosed
US-5578623-A DRUGS FOR TREATMENT OF ARTHRITIS, PANCREATITIS, CYSTIC FIBROSIS, BRONCHITIS, RESPIRATORY DISORDERS STERLING WINTHROP INC. (US) 1996-11-26 US disclosed
US-5464852-A Used in treatment of degenerative diseases STERLING WINTHROP INC. (US) 1995-11-07 US disclosed
US-5380737-A Enzyme inhibitors STERLING WINTHROP INC. (US) 1995-01-10 US disclosed
EP-0542371-A1 Saccharin derivative proteolytic enzyme inhibitors STERLING WINTHROP INC. (US) 1993-05-19 EP disclosed