SCHEMBL7987799

SCHEMBL7987799

O=C1NC(=O)C(=Cc2ccc(OCCc3ccc(OS(=O)(=O)c4cccc([N+](=O)[O-])c4)cc3)cc2)S1

nearest known ligand 0.57

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
HPGD P15428 14/20 0.57
IGF1R P08069 1/20 0.54
GSK3B P49841 1/20 0.49
CISD1 Q9NZ45 1/20 0.48
PIM1 P11309 1/20 0.46
PIM2 Q9P1W9 1/20 0.46
ALDH1A1 P00352 1/20 0.46
LMNA P02545 1/20 0.46
GAA P10253 1/20 0.46
MAPT P10636 1/20 0.46
PTPN1 P18031 2/20 0.46

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
SCHEMBL7987798 1.00 HPGD (0.57) HPGDIGF1RGSK3BCISD1PIM1
SCHEMBL7998376 0.85 HPGD (0.76) HPGDCISD1PIM1PIM2PTPN1
SCHEMBL7998379 0.85 HPGD (0.76) HPGDCISD1PIM1PIM2PTPN1
SCHEMBL7987758 0.83 KMT2A (0.47) ALDH1A1LMNAGAAMAPT
SCHEMBL7987934 0.82 HPGD (0.63) HPGDCISD1PIM1PIM2PTPN1
SCHEMBL7987937 0.82 HPGD (0.63) HPGDCISD1PIM1PIM2PTPN1
SCHEMBL8000465 0.80 FFAR1 (0.47) HPGDALDH1A1MAPTPTPN1
SCHEMBL7987720 0.78 PRMT5 (0.53) HPGDLMNAGAAMAPT
SCHEMBL7996857 0.77 HPGD (0.71) HPGDCISD1PIM1PIM2PTPN1
SCHEMBL8003787 0.77 HPGD (0.71) HPGDCISD1PIM1PIM2PTPN1

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 3 patents. 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
EP-0991632-A1 NEW THIAZOLIDINEDIONE, OXAZOLIDINEDIONE AND OXADIAZOLIDINEDIONE DERIVATIVES Astra Aktiebolag (SE) 2000-04-12 EP disclosed
WO-1998057941-A1 NEW THIAZOLIDINEDIONE, OXAZOLIDINEDIONE AND OXADIAZOLIDINEDIONE DERIVATIVES ASTRA AKTIEBOLAG (SE) 1998-12-23 WO disclosed