SCHEMBL299564

SCHEMBL299564

CCOC(=O)c1sc(-c2ccc(OS(=O)(=O)C(F)(F)F)nc2)nc1C

nearest known ligand 0.57

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CDC7 O00311 7/20 0.53
DBF4 Q9UBU7 7/20 0.53
MAPT P10636 4/20 0.48
MEN1 O00255 3/20 0.48
KMT2A Q03164 3/20 0.48
KDM4E B2RXH2 2/20 0.48
HSP90AA1 P07900 1/20 0.48
CRHBP P24387 1/20 0.48
CRHR2 Q13324 1/20 0.48
LMNA P02545 2/20 0.47
TRPM8 Q7Z2W7 6/20 0.46
ALDH1A1 P00352 2/20 0.46
CYP2C9 P11712 1/20 0.43
NPC1 O15118 1/20 0.41
HPGD P15428 1/20 0.41
RAB9A P51151 1/20 0.41

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
SCHEMBL299586 0.86 CDC7 (0.61) CDC7DBF4MAPTMEN1KMT2A
SCHEMBL25407669 0.81 CDC7 (0.59) CDC7DBF4MAPTMEN1KMT2A
SCHEMBL299345 0.80 MAPT (0.56) CDC7DBF4MAPTMEN1KMT2A
SCHEMBL20893822 0.79 CDC7 (0.66) CDC7DBF4MAPTMEN1KMT2A
SCHEMBL29631123 0.79 CDC7 (0.66) CDC7DBF4MAPTMEN1KMT2A
SCHEMBL298114 0.78 CDC7 (0.64) CDC7DBF4MAPTMEN1KMT2A
SCHEMBL13117989 0.78 CDC7 (0.51) CDC7DBF4MAPTMEN1KMT2A
SCHEMBL4449310 0.78 XDH (0.55) CDC7DBF4MAPTMEN1KMT2A
SCHEMBL289301 0.77 LMNA (0.52) CDC7DBF4MAPTMEN1KMT2A
SCHEMBL3080219 0.77 CDC7 (0.63) CDC7DBF4MAPTMEN1KMT2A

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-2427447-A2 SMALL MOLECULE INHIBITORS OF INFLUENZA A AND B VIRUS AND RESPIRATORY SYNCYTIAL VIRUS REPLICATION Pike Pharma GmbH (CH) 2012-03-14 EP disclosed
WO-2010128163-A2 SMALL MOLECULE INHIBITORS OF INFLUENZA A AND B VIRUS AND RESPIRATORY SYNCYTIAL VIRUS REPLICATION PIKE PHARMA GMBH (CH) 2010-11-11 WO disclosed