SCHEMBL7322651

SCHEMBL7322651

O=C(O)C(Sc1nc2ccccc2s1)c1ccccc1

nearest known ligand 0.72

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PPARA Q07869 3/20 0.72
POLB P06746 3/20 0.52
APEX1 P27695 1/20 0.52
RECQL P46063 1/20 0.52
HPGD P15428 5/20 0.52
ALDH1A1 P00352 4/20 0.52
HSD17B10 Q99714 3/20 0.52
CYP1A2 P05177 3/20 0.52
ALOX15 P16050 2/20 0.52
CYP2C19 P33261 2/20 0.52
HIF1A Q16665 2/20 0.52
MAPK1 P28482 2/20 0.52
CYP2C9 P11712 1/20 0.52
TSHR P16473 1/20 0.52
SMN1; SMN2 Q16637 1/20 0.52
ADRA2A P08913 1/20 0.51
FBP1 P09467 1/20 0.51
ADORA3 P0DMS8 1/20 0.51
DRD2 P14416 1/20 0.51
ADRA2B P18089 1/20 0.51

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
SCHEMBL11361421 0.92 PPARA (0.62) PPARAPOLBAPEX1RECQLHPGD
SCHEMBL7324522 0.91 PPARA (0.76) PPARAPOLBAPEX1RECQLHPGD
SCHEMBL11356908 0.91 PPARA (0.61) PPARAPOLBAPEX1RECQLHPGD
SCHEMBL11361843 0.88 PPARA (0.59) PPARAPOLBAPEX1RECQLHPGD
SCHEMBL2838316 0.86 PPARA (0.56) PPARAPOLBAPEX1RECQLHPGD
SCHEMBL11398411 0.85 PPARA (0.55) PPARAPOLBAPEX1RECQLHPGD
SCHEMBL11368015 0.85 PPARA (0.65) PPARAALDH1A1MAPTMEN1NPC1
SCHEMBL7331187 0.84 PPARA (1.00) PPARAHPGDALDH1A1HSD17B10TSHR
SCHEMBL11370453 0.84 PPARA (0.74) PPARAALDH1A1
SCHEMBL11368265 0.84 PPARA (0.82) PPARAMAPTNPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0067685-B1 ALPHA-PHENYL-2-(AZA)BENZOTHIAZOLYLTHIOGLYCOLIC ACIDS AND DERIVATIVES THEREOF AMERICAN HOME PRODUCTS CORPORATION (US) 1986-11-05 EP claimed
US-4567267-A α-Phenyl-2-(aza)benzothiazolylthioglycolic acids and derivatives thereof AMERICAN HOME PRODUCTS CORPORATION (US) 1986-01-28 US claimed
US-4367233-A ALPHA-PHENYL-2-/AZA/BENZOTHIAZOYLTHIOGLYCOLIC ACIDS AMERICAN HOME PRODUCTS CORPORATION (US) 1983-01-04 US claimed
EP-0067685-B1 ALPHA-PHENYL-2-(AZA)BENZOTHIAZOLYLTHIOGLYCOLIC ACIDS AND DERIVATIVES THEREOF AMERICAN HOME PRODUCTS CORPORATION (US) 1986-11-05 EP disclosed
US-4567267-A α-Phenyl-2-(aza)benzothiazolylthioglycolic acids and derivatives thereof AMERICAN HOME PRODUCTS CORPORATION (US) 1986-01-28 US disclosed
US-4367233-A ALPHA-PHENYL-2-/AZA/BENZOTHIAZOYLTHIOGLYCOLIC ACIDS AMERICAN HOME PRODUCTS CORPORATION (US) 1983-01-04 US disclosed
EP-0067685-A1 Alpha-phenyl-2-(aza)benzothiazolylthioglycolic acids and derivatives thereof AMERICAN HOME PRODUCTS CORPORATION (US) 1982-12-22 EP disclosed
US-4294839-A Benzothiazole derivatives and pharmaceutical formulations containing them MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 1981-10-13 US disclosed
EP-0030632-A2 Benzothiazole derivatives, pharmaceutical compositions containing them and process for their preparation MERCK PATENT GmbH (DE) 1981-06-24 EP disclosed