SCHEMBL298114

SCHEMBL298114

CCOC(=O)c1sc(-c2ccc(O)nc2)nc1C

nearest known ligand 0.66

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CDC7 O00311 10/20 0.64
DBF4 Q9UBU7 10/20 0.64
TRPM8 Q7Z2W7 6/20 0.57
LMNA P02545 1/20 0.57
KDM4E B2RXH2 2/20 0.55
MAPT P10636 2/20 0.55
ALDH1A1 P00352 1/20 0.55
MEN1 O00255 1/20 0.52
HSP90AA1 P07900 1/20 0.52
CRHBP P24387 1/20 0.52
KMT2A Q03164 1/20 0.52
CRHR2 Q13324 1/20 0.52

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
SCHEMBL20893822 0.88 CDC7 (0.66) CDC7DBF4TRPM8LMNAKDM4E
SCHEMBL29631123 0.88 CDC7 (0.66) CDC7DBF4TRPM8LMNAKDM4E
SCHEMBL3080219 0.86 CDC7 (0.63) CDC7DBF4TRPM8LMNAKDM4E
SCHEMBL290384 0.84 CDC7 (0.75) CDC7DBF4TRPM8LMNAKDM4E
SCHEMBL25407669 0.83 CDC7 (0.59) CDC7DBF4TRPM8LMNAKDM4E
Hydrochloric Acid SCHEMBL28885517 0.83 CDC7 (0.73) CDC7DBF4TRPM8LMNAKDM4E
Bromide SCHEMBL28376005 0.83 CDC7 (0.73) CDC7DBF4TRPM8LMNAKDM4E
SCHEMBL892889 0.82 CDC7 (0.77) CDC7DBF4TRPM8LMNAKDM4E
SCHEMBL12186978 0.82 CDC7 (0.64) CDC7DBF4TRPM8LMNAKDM4E
SCHEMBL28297246 0.82 CDC7 (0.71) CDC7DBF4TRPM8LMNAKDM4E

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