SCHEMBL7302106

SCHEMBL7302106

O=C(C1=N[N]N=C1C(=O)N1CCCCC1)N1CCCCC1

nearest known ligand 0.50

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ HPGD P15428 9/20 0.50
▸ ALDH1A1 P00352 4/20 0.50
▸ NPC1 O15118 1/20 0.41
▸ GLA P06280 1/20 0.41
▸ KMT2A Q03164 3/20 0.40
▸ USP2 O75604 1/20 0.40
▸ MEN1 O00255 2/20 0.40
▸ POLB P06746 1/20 0.40
▸ KDM4E B2RXH2 1/20 0.39
▸ TSHR P16473 1/20 0.39
▸ GNE Q9Y223 1/20 0.39
▸ HSD11B1 P28845 1/20 0.39
▸ GRIA3 P42263 1/20 0.39
▸ GRIA4 P48058 1/20 0.39
▸ LMNA P02545 1/20 0.38

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
SCHEMBL27479149 0.67 HPGD (1.00) HPGDALDH1A1KMT2AUSP2MEN1
SCHEMBL28306573 0.67 HPGD (0.54) HPGDALDH1A1NPC1GLAKMT2A
SCHEMBL1826062 0.67 HPGD (0.54) HPGDALDH1A1NPC1GLAKMT2A
SCHEMBL7132525 0.67 HPGD (1.00) HPGDALDH1A1KMT2AUSP2MEN1
SCHEMBL28684147 0.65 HPGD (0.52) HPGDALDH1A1NPC1GLAKMT2A
SCHEMBL969811 0.65 HPGD (0.52) HPGDALDH1A1NPC1GLAUSP2
SCHEMBL21650204 0.65 HPGD (0.58) HPGDALDH1A1NPC1GLAKMT2A
Ammonia Solution, Strong SCHEMBL6057018 0.64 ALDH1A1 (0.55) HPGDALDH1A1KMT2AMEN1POLB
SCHEMBL20594175 0.64 L3MBTL1 (0.61) HPGDALDH1A1NPC1GLAKMT2A
SCHEMBL9051832 0.64 HPGD (0.58) HPGDALDH1A1NPC1GLAKMT2A

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 8 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
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
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