SCHEMBL4686083

SCHEMBL4686083

O=S(=O)(CO)c1ncc[nH]1

nearest known ligand 0.44

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
TBXAS1 P24557 2/20 0.36
FDPS P14324 3/20 0.33
ALDH1A1 P00352 2/20 0.33
TXNRD1 Q16881 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
KDM4E B2RXH2 1/20 0.31
ALOX15 P16050 1/20 0.31
NPC1 O15118 1/20 0.30
RAB9A P51151 1/20 0.30

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
SCHEMBL4682206 0.84 CA2 (0.36) TBXAS1FDPSALDH1A1TXNRD1SMN1; SMN2
SCHEMBL7288670 0.81 CA2 (0.40) TBXAS1FDPSTXNRD1KDM4EALOX15
SCHEMBL2010779 0.81 ALDH1A1 (0.39) ALDH1A1TXNRD1SMN1; SMN2KDM4EALOX15
SCHEMBL4686081 0.81 ALDH1A1 (0.34) TBXAS1FDPSALDH1A1TXNRD1SMN1; SMN2
SCHEMBL4681647 0.78 CA2 (0.40) TBXAS1FDPSKDM4E
SCHEMBL7360840 0.78 TXNRD1 (0.35) FDPSALDH1A1TXNRD1SMN1; SMN2
SCHEMBL7296085 0.78 CA2 (0.40) TBXAS1FDPSKDM4E
SCHEMBL4682203 0.78 TAAR1 (0.33) TBXAS1FDPSALDH1A1TXNRD1SMN1; SMN2
SCHEMBL4684154 0.76 FDPS (0.36) FDPSALDH1A1TXNRD1SMN1; SMN2
SCHEMBL30821606 0.76 L3MBTL1 (0.38) TBXAS1FDPSALDH1A1TXNRD1SMN1; SMN2

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 12 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1902717-A2 Vasopressin antagonist and oxytocin antagonist Otsuka Pharmaceutical Company, Limited (JP) 2008-03-26 EP disclosed
EP-0620003-B1 VASOPRESSIN ANTAGONIST AND OXYTOCIN ANTAGONIST OTSUKA PHARMA CO LTD (JP) 2008-01-16 EP disclosed
US-5753644-A Vasopressin antagonist and oxytocin antagonist OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1998-05-19 US disclosed
US-5652247-A VASOPRESSIN ANTAGONIST OTSUKA PHARMACEUTICAL CO., LTD (JP) 1997-07-29 US disclosed
US-5622947-A VASODILATORS, HYPOTENSIVE AGENTS, DIURETICS, PLATELET AGGLUTINATION INHIBITORS; ALSO USED TO PREVENT PREMATURE BIRTH, TREAT DYSMENORRHEA OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1997-04-22 US disclosed
US-5436254-A Vaopressin antagonists OTSUKA PHARMACEUTICAL COMPANY, LTD. (JP) 1995-07-25 US disclosed
EP-0620003-A1 VASOPRESSIN ANTAGONIST AND OXYTOCIN ANTAGONIST OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1994-10-19 EP 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