SCHEMBL4459171

SCHEMBL4459171

CC(=O)c1ccc2cccc(S)c2n1

nearest known ligand 0.46

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.46
KMT2A Q03164 1/20 0.46
PIM1 P11309 1/20 0.45
PSMD14 O00487 2/20 0.44
COPS5 Q92905 2/20 0.44
MMP2 P08253 2/20 0.41
PARP1 P09874 2/20 0.37
ALDH1A1 P00352 2/20 0.36
PDE4D Q08499 1/20 0.35
MGAM O43451 1/20 0.34
METAP2 P50579 1/20 0.34

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
SCHEMBL13977552 0.84 KDM4E (0.66) KDM4EKMT2APIM1PSMD14COPS5
SCHEMBL13977541 0.82 PIM1 (0.67) KDM4EKMT2APIM1PSMD14COPS5
SCHEMBL1051386 0.80 KDM4E (0.71) KDM4EKMT2APIM1MMP2ALDH1A1
SCHEMBL6112866 0.80 PARP1 (0.49) KDM4EKMT2APIM1MMP2PARP1
SCHEMBL15865601 0.79 KDM4E (0.44) KDM4EKMT2APIM1MMP2PARP1
SCHEMBL341567 0.79 BACE1 (0.50) KDM4EKMT2APIM1PSMD14MMP2
SCHEMBL28932903 0.79 PARP1 (0.47) KDM4EKMT2APIM1MMP2PARP1
SCHEMBL17268386 0.77 KDM4E (0.45) KDM4EKMT2APIM1MMP2PARP1
Hydrochloric Acid SCHEMBL28339116 0.77 PARP1 (0.46) KDM4EKMT2APIM1MMP2PARP1
SCHEMBL30937996 0.76 ALDH1A1 (0.47) KDM4EKMT2APIM1MMP2ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2009140215-A2 METHOD FOR TREATING DRUG-RESISTANT BACTERIAL AND OTHER INFECTIONS WITH CLIOQUINOL, PHANQUINONE, AND RELATED COMPOUNDS GERAGHTY, ERIN (US) 2009-11-19 WO claimed
US-20080207673-A1 Method for Treating Cancer, Coronary, Inflammatory and Macular Disease, Combining the Modulation of Zinc-and/or Copper Dependent Proteins XILINAS MICHEL 2008-08-28 US claimed
WO-2006117660-A2 METHOD FOR TREATING CANCER, CORONARY, INFLAMMATORY AND MACULAR DISEASE, COMBINING THE MODULATION OF ZINC- AND/OR COPPER DEPENDENT PROTEINS CLIO PHARMACEUTICAL CORPORATION (US) 2006-11-09 WO claimed
WO-2009140215-A2 METHOD FOR TREATING DRUG-RESISTANT BACTERIAL AND OTHER INFECTIONS WITH CLIOQUINOL, PHANQUINONE, AND RELATED COMPOUNDS GERAGHTY, ERIN (US) 2009-11-19 WO disclosed
US-20080207673-A1 Method for Treating Cancer, Coronary, Inflammatory and Macular Disease, Combining the Modulation of Zinc-and/or Copper Dependent Proteins XILINAS MICHEL 2008-08-28 US disclosed
WO-2006117660-A2 METHOD FOR TREATING CANCER, CORONARY, INFLAMMATORY AND MACULAR DISEASE, COMBINING THE MODULATION OF ZINC- AND/OR COPPER DEPENDENT PROTEINS CLIO PHARMACEUTICAL CORPORATION (US) 2006-11-09 WO disclosed
WO-2002051415-A2 USE OF SEQUESTRANTS FOR TREATING PRION DISEASES XILINAS MICHEL (CY) 2002-07-04 WO disclosed