SCHEMBL7682599

SCHEMBL7682599

CCOC(=O)c1[nH]c2sccc2c1Cc1ccc(Cl)c(Cl)c1

nearest known ligand 0.47

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PTGES O14684 2/20 0.47
ALOX5 P09917 2/20 0.47
SMN1; SMN2 Q16637 3/20 0.43
TSHR P16473 1/20 0.43
CYP4F2 P78329 1/20 0.40
CYP4A11 Q02928 1/20 0.40
ALOX15 P16050 6/20 0.40
MDM2 Q00987 2/20 0.40
LMNA P02545 3/20 0.39
KMT2A Q03164 2/20 0.39
MEN1 O00255 1/20 0.39
ALDH1A1 P00352 1/20 0.39
GAA P10253 1/20 0.38
MAPT P10636 1/20 0.38
HTT P42858 1/20 0.38
PDE3B Q13370 1/20 0.38
PDE3A Q14432 1/20 0.38

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
SCHEMBL7680945 0.83 PTPRC (0.44) LMNAALDH1A1MAPT
SCHEMBL7678604 0.80 PTGES (0.47) PTGESALOX5SMN1; SMN2TSHRCYP4F2
SCHEMBL1244177 0.78 ALDH1A1 (0.45) SMN1; SMN2ALOX15KMT2AMEN1ALDH1A1
SCHEMBL1242308 0.74 HPGD (0.43) SMN1; SMN2TSHRALOX15KMT2AMEN1
SCHEMBL1244702 0.73 TUBB4A (0.44) SMN1; SMN2ALDH1A1GAAMAPT
SCHEMBL364035 0.70 MAPK1 (0.55) PTGESALOX5SMN1; SMN2TSHRCYP4F2
SCHEMBL18796672 0.69 PDE3B (0.73) PTGESALOX5SMN1; SMN2TSHRCYP4F2
SCHEMBL10963637 0.69 KDM4E (0.51) PTGESALOX5SMN1; SMN2TSHRLMNA
SCHEMBL5113224 0.68 PARP15 (0.48) SMN1; SMN2KMT2AMEN1ALDH1A1MAPT
SCHEMBL5214867 0.67 ALOX5 (0.47) PTGESALOX5SMN1; SMN2TSHRALOX15

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-6479527-B1 Bicyclic pyrrole derivatives as MCP-1 inhibitors ASTRAZENECA UK LIMITED (GB) 2002-11-12 US disclosed