SCHEMBL7289748

SCHEMBL7289748

O=S(=O)(CCCCCO)c1ncccn1

nearest known ligand 0.44

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CA2 P00918 8/20 0.44
GSTP1 P09211 1/20 0.38
KEAP1 Q14145 1/20 0.36
NFE2L2 Q16236 1/20 0.36
HDAC3 O15379 2/20 0.33
HDAC4 P56524 2/20 0.33
HDAC1 Q13547 2/20 0.33
HDAC7 Q8WUI4 2/20 0.33
HDAC2 Q92769 2/20 0.33
HDAC10 Q969S8 2/20 0.33
HDAC11 Q96DB2 2/20 0.33
HDAC8 Q9BY41 2/20 0.33
HDAC6 Q9UBN7 2/20 0.33
HDAC9 Q9UKV0 2/20 0.33
HDAC5 Q9UQL6 2/20 0.33

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
SCHEMBL14467778 0.84 CA2 (0.41) CA2
SCHEMBL7289744 0.82 KEAP1 (0.36) KEAP1NFE2L2HDAC3HDAC4HDAC1
SCHEMBL4681587 0.79 KEAP1 (0.58) CA2GSTP1KEAP1NFE2L2
SCHEMBL4739952 0.79 KEAP1 (0.58) CA2GSTP1KEAP1NFE2L2
SCHEMBL5862498 0.78 KDM4E (0.40) CA2KEAP1NFE2L2
SCHEMBL8630145 0.77 KEAP1 (0.60) CA2KEAP1NFE2L2
SCHEMBL4685097 0.72 CA2 (0.61) CA2GSTP1KEAP1NFE2L2HDAC3
SCHEMBL22894765 0.72 ALDH1A1 (0.37) KEAP1NFE2L2
SCHEMBL4687269 0.72 CA2 (0.61) CA2GSTP1KEAP1NFE2L2HDAC3
SCHEMBL7296085 0.72 CA2 (0.40) CA2GSTP1

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-5652247-A VASOPRESSIN ANTAGONIST OTSUKA PHARMACEUTICAL CO., LTD (JP) 1997-07-29 US disclosed
US-5436254-A Vaopressin antagonists OTSUKA PHARMACEUTICAL COMPANY, LTD. (JP) 1995-07-25 US disclosed
EP-0602209-A1 OXYTOCIN ANTAGONIST OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1994-06-22 EP disclosed
EP-0382185-B1 Carbostyril derivatives OTSUKA PHARMA CO LTD (JP) 1994-06-15 EP disclosed
WO-1994001113-A1 OXYTOCIN ANTAGONIST OTSUKA PHARMACEUTICAL COMPANY, LIMITED (JP) 1994-01-20 WO disclosed
US-5225402-A Vasopressin antagonist, vasodilation, hypotensive, diuretics and anticoagulants OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1993-07-06 US disclosed
EP-0382185-A2 Carbostyril derivatives OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1990-08-16 EP disclosed