SCHEMBL14016261

SCHEMBL14016261

CCOC(=O)C=C(CCO)c1sc2cc(C(F)(F)F)ccc2c1C

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.37
TP53 P04637 1/20 0.37
NPSR1 Q6W5P4 3/20 0.36
MAPT P10636 3/20 0.35
MEN1 O00255 2/20 0.35
KMT2A Q03164 2/20 0.35
KDM4E B2RXH2 2/20 0.35
HSP90AA1 P07900 1/20 0.35
CRHBP P24387 1/20 0.35
CRHR2 Q13324 1/20 0.35
ALDH1A1 P00352 2/20 0.33
ESR1 P03372 2/20 0.33
HPGD P15428 1/20 0.33
CYP1A2 P05177 2/20 0.33
CYP2C9 P11712 2/20 0.33
CYP2C19 P33261 2/20 0.33
POLB P06746 1/20 0.33
GAA P10253 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
CES2 O00748 1/20 0.32

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
SCHEMBL4654299 0.94 LMNA (0.38) LMNATP53NPSR1MAPTMEN1
SCHEMBL14469041 0.94 LMNA (0.38) LMNATP53NPSR1MAPTMEN1
SCHEMBL4654301 0.94 LMNA (0.38) LMNATP53NPSR1MAPTMEN1
SCHEMBL4655114 0.91 LMNA (0.36) LMNATP53NPSR1MAPTMEN1
SCHEMBL4655111 0.91 LMNA (0.36) LMNATP53NPSR1MAPTMEN1
SCHEMBL14016146 0.91 LMNA (0.36) LMNATP53NPSR1MAPTMEN1
SCHEMBL4655064 0.90 LMNA (0.36) LMNATP53NPSR1MAPTMEN1
SCHEMBL14469135 0.90 LMNA (0.36) LMNATP53NPSR1MAPTMEN1
SCHEMBL4655063 0.90 LMNA (0.36) LMNATP53NPSR1MAPTMEN1
SCHEMBL4654312 0.82 LMNA (0.38) LMNATP53NPSR1MAPTMEN1

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
EP-1740568-B1 BENZOFURAN AND BENZOTHIOPHENE DERIVATIVES USEFUL FOR THE TREATMENT OF CARDIOVASCULAR DISEASE. SMITHKLINE BEECHAM CORP (US) 2008-11-26 EP disclosed