SCHEMBL288534

SCHEMBL288534

CCOC(=O)c1sc(-c2ccc(-c3ccc(-c4cccs4)s3)s2)nc1C

nearest known ligand 0.86

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 7/20 0.86
ALDH1A1 P00352 5/20 0.86
CDC7 O00311 6/20 0.58
DBF4 Q9UBU7 6/20 0.58
GAA P10253 3/20 0.57
LMNA P02545 1/20 0.55
HPGD P15428 3/20 0.54
NPC1 O15118 2/20 0.54
RAB9A P51151 2/20 0.54
SMN1; SMN2 Q16637 2/20 0.54
MAPT P10636 3/20 0.47
KMT2A Q03164 1/20 0.46
TRPM8 Q7Z2W7 1/20 0.46
CASP1 P29466 1/20 0.46
HTT P42858 1/20 0.45
KEAP1 Q14145 1/20 0.44

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
SCHEMBL289139 1.00 KDM4E (0.86) KDM4EALDH1A1CDC7DBF4GAA
SCHEMBL290132 0.92 KDM4E (1.00) KDM4EALDH1A1CDC7DBF4GAA
SCHEMBL290278 0.86 KDM4E (0.66) KDM4EALDH1A1CDC7DBF4LMNA
SCHEMBL290099 0.85 KDM4E (0.81) KDM4EALDH1A1CDC7DBF4GAA
SCHEMBL288994 0.84 KDM4E (0.80) KDM4EALDH1A1CDC7DBF4GAA
SCHEMBL290101 0.84 ALDH1A1 (0.64) KDM4EALDH1A1CDC7DBF4GAA
SCHEMBL289147 0.84 KDM4E (0.67) KDM4EALDH1A1CDC7DBF4LMNA
SCHEMBL289644 0.84 KDM4E (0.74) KDM4EALDH1A1CDC7DBF4GAA
SCHEMBL289613 0.84 KDM4E (0.78) KDM4EALDH1A1CDC7DBF4GAA
SCHEMBL289916 0.84 KDM4E (0.71) KDM4EALDH1A1CDC7DBF4GAA

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