SCHEMBL8000423

SCHEMBL8000423

O=C1NC(=O)/C(=C/c2ccc(OCCc3ccc(OS(=O)(=O)C(F)(F)F)cc3)cc2)S1

nearest known ligand 0.71

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
HPGD P15428 13/20 0.71
PTPN1 P18031 3/20 0.58
CISD1 Q9NZ45 1/20 0.58
PIM1 P11309 3/20 0.57
PIM2 Q9P1W9 3/20 0.57
POLB P06746 1/20 0.55
MAOA P21397 1/20 0.55
MAOB P27338 1/20 0.55

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
SCHEMBL8000424 1.00 HPGD (0.71) HPGDPTPN1CISD1PIM1PIM2
SCHEMBL7996857 0.87 HPGD (0.71) HPGDPTPN1CISD1PIM1PIM2
SCHEMBL7996853 0.87 HPGD (0.71) HPGDPTPN1CISD1PIM1PIM2
SCHEMBL7998376 0.85 HPGD (0.76) HPGDPTPN1CISD1PIM1PIM2
SCHEMBL7998379 0.85 HPGD (0.76) HPGDPTPN1CISD1PIM1PIM2
SCHEMBL8000503 0.84 HPGD (0.67) HPGDPTPN1CISD1PIM1PIM2
SCHEMBL8000501 0.84 HPGD (0.67) HPGDPTPN1CISD1PIM1PIM2
SCHEMBL1300347 0.84 HPGD (1.00) HPGDPTPN1CISD1PIM1PIM2
SCHEMBL1300345 0.84 HPGD (1.00) HPGDPTPN1CISD1PIM1PIM2
SCHEMBL6866778 0.84 HPGD (1.00) HPGDPTPN1CISD1PIM1PIM2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6288096-B1 ANTIDIABETIC AGENTS, HYPOTENSIVE AGENTS, AND ANTICHOLESTEROL AGENTS ASTRAZENECA AB (SE) 2001-09-11 US disclosed