SCHEMBL8103411

SCHEMBL8103411

COC(=O)CCS(=O)(=O)NCCOCCc1ccccc1C

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 3/20 0.41
CA7 P43166 3/20 0.41
CA14 Q9ULX7 3/20 0.41
CA9 Q16790 2/20 0.41
ALDH1A1 P00352 5/20 0.38
KDM4E B2RXH2 1/20 0.38
CA1 P00915 1/20 0.38
ALOX5 P09917 1/20 0.37
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
MAPT P10636 1/20 0.36
ALOX12 P18054 1/20 0.36
LMNA P02545 2/20 0.36
MITF O75030 1/20 0.36
S1PR4 O95977 1/20 0.36
HPGD P15428 1/20 0.36
S1PR1 P21453 1/20 0.36
STAT3 P40763 1/20 0.36
STAT1 P42224 1/20 0.36
HTT P42858 1/20 0.36

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
SCHEMBL8129039 0.84 CA12 (0.56) CA12CA7CA14CA9ALDH1A1
SCHEMBL8088959 0.81 ALDH1A1 (0.46) CA12CA7CA14CA9ALDH1A1
SCHEMBL8097774 0.78 HPGD (0.38) CA12CA7CA14CA9ALDH1A1
SCHEMBL8088373 0.77 CA12 (0.52) CA12CA7CA14CA9ALDH1A1
SCHEMBL8097211 0.77 CA12 (0.42) CA12CA7CA14CA9ALDH1A1
SCHEMBL8096816 0.77 ALDH1A1 (0.45) CA12CA7CA14CA9ALDH1A1
SCHEMBL8914213 0.74 CYP4F2 (0.51) ALDH1A1KDM4EMEN1KMT2AMAPT
SCHEMBL8097361 0.74 CA12 (0.50) CA12CA7CA14CA9ALDH1A1
SCHEMBL8101293 0.72 L3MBTL1 (0.49) CA12CA7CA14CA9ALDH1A1
SCHEMBL8935206 0.72 CYP4F2 (0.49) ALDH1A1MEN1KMT2AMAPTALOX12

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6080869-A Benzothiazolone derivatives ASTRA PHARMACEUTICALS LIMITED (GB) 2000-06-27 US disclosed
EP-0850232-B1 BENZOTHIAZOLONE DERIVATIVES ASTRA PHARMA PROD (GB) 2000-03-15 EP disclosed
US-6008365-A ADRENORECEPTOR AGONISTS AND DOPAMINE DA2-RECEPTOR AGONISTS, USEFUL IN THE TREATMENT OF OBSTRUCTIVE AIRWAY DISEASES ASTRA PHARMACEUTICALS LTD. (GB) 1999-12-28 US disclosed
US-5977384-A Benzothiazolone derivatives ASTRA PHARMACEUTICALS LTD. (GB) 1999-11-02 US disclosed
US-5973167-A Intermediates for making benzothiazolone derivatives ASTRA PHARMACEUTICALS LTD. (GB) 1999-10-26 US disclosed