SCHEMBL290099

SCHEMBL290099

CCOC(=O)c1sc(-c2ccc(-c3cccs3)cc2)nc1C

nearest known ligand 0.81

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 5/20 0.81
ALDH1A1 P00352 2/20 0.81
CDC7 O00311 8/20 0.69
DBF4 Q9UBU7 8/20 0.69
TRPM8 Q7Z2W7 4/20 0.55
LMNA P02545 1/20 0.55
GAA P10253 1/20 0.54
NPC1 O15118 1/20 0.54
HPGD P15428 1/20 0.54
RAB9A P51151 1/20 0.54
SMN1; SMN2 Q16637 1/20 0.54
MAPT P10636 2/20 0.53
MEN1 O00255 1/20 0.53
HSP90AA1 P07900 1/20 0.53
CRHBP P24387 1/20 0.53
KMT2A Q03164 1/20 0.53
CRHR2 Q13324 1/20 0.53

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
SCHEMBL290249 0.92 KDM4E (0.76) KDM4EALDH1A1CDC7DBF4TRPM8
SCHEMBL290132 0.90 KDM4E (1.00) KDM4EALDH1A1CDC7DBF4TRPM8
SCHEMBL288534 0.85 KDM4E (0.86) KDM4EALDH1A1CDC7DBF4TRPM8
SCHEMBL289139 0.85 KDM4E (0.86) KDM4EALDH1A1CDC7DBF4TRPM8
SCHEMBL288994 0.84 KDM4E (0.80) KDM4EALDH1A1CDC7DBF4TRPM8
SCHEMBL289704 0.83 KDM4E (0.79) KDM4EALDH1A1LMNAGAANPC1
SCHEMBL289229 0.83 CDC7 (0.73) KDM4EALDH1A1CDC7DBF4TRPM8
SCHEMBL892889 0.83 CDC7 (0.77) KDM4EALDH1A1CDC7DBF4TRPM8
SCHEMBL1316281 0.83 CDC7 (0.77) KDM4EALDH1A1CDC7DBF4TRPM8
SCHEMBL290007 0.82 KDM4E (0.76) KDM4EALDH1A1CDC7DBF4TRPM8

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