SCHEMBL7307355

SCHEMBL7307355

CCCCCOc1ccc(-c2nn[c]o2)cc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 5/20 0.54
NPC1 O15118 4/20 0.54
HSD17B10 Q99714 4/20 0.54
KDM4E B2RXH2 3/20 0.54
ALDH1A1 P00352 3/20 0.54
MAPT P10636 3/20 0.54
TSHR P16473 2/20 0.54
LMNA P02545 2/20 0.54
SMN1; SMN2 Q16637 3/20 0.48
HPGD P15428 2/20 0.48
TP53 P04637 1/20 0.48
CYP2D6 P10635 5/20 0.47
CYP3A4 P08684 3/20 0.47
CYP19A1 P11511 7/20 0.46
CYP2C9 P11712 6/20 0.46
CYP2C19 P33261 6/20 0.46
CYP1A2 P05177 4/20 0.46
NR5A1 Q13285 1/20 0.45
RARB P10826 3/20 0.44
LTA4H P09960 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
SCHEMBL7307514 0.80 KDM4E (0.40) RAB9ANPC1HSD17B10KDM4EALDH1A1
SCHEMBL11937095 0.78 ALDH1A1 (0.77) RAB9ANPC1HSD17B10KDM4EALDH1A1
SCHEMBL11937097 0.78 ALDH1A1 (0.77) RAB9ANPC1HSD17B10KDM4EALDH1A1
SCHEMBL11937096 0.78 ALDH1A1 (0.77) RAB9ANPC1HSD17B10KDM4EALDH1A1
SCHEMBL11937094 0.78 ALDH1A1 (0.77) RAB9ANPC1HSD17B10KDM4EALDH1A1
SCHEMBL14089644 0.77 ALDH1A1 (0.75) RAB9ANPC1HSD17B10KDM4EALDH1A1
SCHEMBL4401356 0.77 RAB9A (0.47) RAB9ANPC1HSD17B10KDM4EALDH1A1
SCHEMBL345944 0.76 NPC1 (0.51) RAB9ANPC1HSD17B10KDM4EALDH1A1
SCHEMBL28780750 0.75 CYP2D6 (0.70) RAB9ANPC1HSD17B10KDM4ETSHR
SCHEMBL6905782 0.75 CYP2D6 (0.70) RAB9ANPC1HSD17B10KDM4ETSHR

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