SCHEMBL5613835

SCHEMBL5613835

CCOCCNC1=NC(=O)C(=Cc2ccc(OCc3ccc(C(F)(F)F)cc3C(F)(F)F)cc2OC)S1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FOXM1 Q08050 1/20 0.41
PTPN1 P18031 5/20 0.39
ALOX5 P09917 1/20 0.38
ESRRA P11474 8/20 0.37
CYP1A1 P04798 2/20 0.37
CYP1B1 Q16678 2/20 0.37
CHEK1 O14757 1/20 0.36
DAPK3 O43293 1/20 0.36
PRKD3 O94806 1/20 0.36
PIM1 P11309 1/20 0.36
MAPK8 P45983 1/20 0.36
CSNK1A1 P48729 1/20 0.36
CDK8 P49336 1/20 0.36
CLK2 P49760 1/20 0.36
CDK9 P50750 1/20 0.36
CDK5 Q00535 1/20 0.36
DYRK1A Q13627 1/20 0.36
LRRK2 Q5S007 1/20 0.36
CLK4 Q9HAZ1 1/20 0.36
DYRK1B Q9Y463 1/20 0.36

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
SCHEMBL5617115 0.93 ESRRA (0.42) FOXM1PTPN1ALOX5ESRRACYP1A1
SCHEMBL5616931 0.92 FOXM1 (0.43) FOXM1PTPN1ALOX5ESRRACYP1A1
SCHEMBL5613962 0.89 FOXM1 (0.41) FOXM1PTPN1ALOX5ESRRACYP1A1
SCHEMBL5616853 0.88 FOXM1 (0.45) FOXM1PTPN1ALOX5ESRRACYP1A1
SCHEMBL5614007 0.87 PTPN1 (0.45) FOXM1PTPN1ALOX5ESRRACDK8
SCHEMBL5613843 0.86 PTPN1 (0.43) FOXM1PTPN1ALOX5ESRRASRD5A1
SCHEMBL2202068 0.86 ESRRA (0.47) FOXM1ESRRAMEN1KMT2A
SCHEMBL5613817 0.85 PTPN1 (0.44) FOXM1PTPN1ALOX5ESRRASRD5A1
SCHEMBL5614020 0.84 PTPN1 (0.41) FOXM1PTPN1ALOX5ESRRASRD5A1
SCHEMBL5614097 0.82 HPGD (0.43) FOXM1PTPN1ALOX5ESRRASRD5A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1805154-A2 PHARMACEUTICAL COMPOSITIONS Exelixis, Inc. (US) 2007-07-11 EP disclosed
WO-2006047269-A2 PHARMACEUTICAL COMPOSITIONS EXELIXIS, INC. (US) 2006-05-04 WO disclosed