SCHEMBL7308113

SCHEMBL7308113

[c]1nnc(CCN2CCOCC2)s1

nearest known ligand 0.42

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 3/20 0.41
MAPK1 P28482 1/20 0.40
HSD17B10 Q99714 1/20 0.40
ALDH1A1 P00352 4/20 0.40
POLB P06746 3/20 0.36
KDM4E B2RXH2 3/20 0.35
KEAP1 Q14145 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
MEN1 O00255 2/20 0.33
KMT2A Q03164 2/20 0.33
KDM1A O60341 1/20 0.33
ATM Q13315 1/20 0.33
GLA P06280 1/20 0.33
CNR1 P21554 1/20 0.32

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
SCHEMBL7312043 0.83 L3MBTL1 (0.51) SIGMAR1ALDH1A1SMN1; SMN2L3MBTL1MEN1
SCHEMBL11685688 0.83 ALDH1A1 (0.41) HSD17B10ALDH1A1KDM4ESMN1; SMN2L3MBTL1
SCHEMBL7304554 0.73 ALDH1A1 (0.42) SIGMAR1MAPK1HSD17B10ALDH1A1KDM4E
SCHEMBL7308934 0.73 TDP1 (0.43) SIGMAR1MAPK1POLBKDM4ESMN1; SMN2
SCHEMBL8701885 0.70 ALDH1A1 (0.42) SIGMAR1MAPK1HSD17B10ALDH1A1POLB
SCHEMBL2400051 0.70 L3MBTL1 (0.71) MAPK1HSD17B10ALDH1A1POLBKDM4E
SCHEMBL12263487 0.70 MAPK1 (0.49) SIGMAR1MAPK1HSD17B10ALDH1A1POLB
SCHEMBL16982100 0.67 LTA4H (0.42) SIGMAR1MAPK1HSD17B10ALDH1A1POLB
SCHEMBL3987440 0.67 KDM4E (0.38) SIGMAR1MAPK1HSD17B10ALDH1A1POLB
SCHEMBL235080 0.66 KDM4E (0.65) SIGMAR1HSD17B10ALDH1A1POLBKDM4E

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 7 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
EP-0542372-A1 2-Substituted saccharin derivative proteolytic enzyme inhibitors STERLING WINTHROP INC. (US) 1993-05-19 EP 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