SCHEMBL7360840

SCHEMBL7360840

CC(CO)CS(=O)(=O)c1ncc[nH]1

nearest known ligand 0.37

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
TXNRD1 Q16881 2/20 0.35
TAAR1 Q96RJ0 3/20 0.32
TXN P10599 1/20 0.32
ALDH1A1 P00352 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
FDPS P14324 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
SCHEMBL7360834 0.85 TXNRD1 (0.33) TXNRD1TAAR1TXNALDH1A1SMN1; SMN2
SCHEMBL4686083 0.78 TBXAS1 (0.36) TXNRD1ALDH1A1SMN1; SMN2FDPS
Hydrochloric Acid SCHEMBL4005242 0.78 TXNRD1 (0.33) TXNRD1TAAR1TXNALDH1A1SMN1; SMN2
SCHEMBL2010779 0.76 ALDH1A1 (0.39) TXNRD1TAAR1TXNALDH1A1SMN1; SMN2
SCHEMBL4682206 0.75 CA2 (0.36) TXNRD1TAAR1ALDH1A1SMN1; SMN2FDPS
SCHEMBL4684154 0.75 FDPS (0.36) TXNRD1TAAR1ALDH1A1SMN1; SMN2FDPS
SCHEMBL11071751 0.75 TXNRD1 (0.38) TXNRD1TXNALDH1A1SMN1; SMN2
SCHEMBL7349116 0.74 KMT2A (0.33) ALDH1A1
SCHEMBL7288670 0.72 CA2 (0.40) TXNRD1TAAR1FDPS
SCHEMBL4684150 0.72 TXNRD1 (0.33) TXNRD1TAAR1TXNALDH1A1SMN1; 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 6 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