SCHEMBL288994

SCHEMBL288994

CCOC(=O)c1sc(-c2ccccc2-c2cccs2)nc1C

nearest known ligand 0.80

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 6/20 0.80
ALDH1A1 P00352 5/20 0.80
CDC7 O00311 5/20 0.57
DBF4 Q9UBU7 5/20 0.57
LMNA P02545 1/20 0.57
GAA P10253 3/20 0.53
HPGD P15428 4/20 0.53
NPC1 O15118 2/20 0.53
RAB9A P51151 2/20 0.53
SMN1; SMN2 Q16637 2/20 0.53
MAPT P10636 2/20 0.49
KEAP1 Q14145 1/20 0.49
TRPM8 Q7Z2W7 1/20 0.48
KMT2A Q03164 2/20 0.46
MEN1 O00255 1/20 0.46
CYP2C9 P11712 1/20 0.46
TP53 P04637 1/20 0.46
POLB P06746 1/20 0.46
NPSR1 Q6W5P4 1/20 0.45
TDP1 Q9NUW8 1/20 0.45

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
SCHEMBL290132 0.89 KDM4E (1.00) KDM4EALDH1A1CDC7DBF4LMNA
SCHEMBL290007 0.86 KDM4E (0.76) KDM4EALDH1A1CDC7DBF4LMNA
SCHEMBL290099 0.84 KDM4E (0.81) KDM4EALDH1A1CDC7DBF4LMNA
SCHEMBL288534 0.84 KDM4E (0.86) KDM4EALDH1A1CDC7DBF4LMNA
SCHEMBL289139 0.84 KDM4E (0.86) KDM4EALDH1A1CDC7DBF4LMNA
SCHEMBL289248 0.84 KDM4E (0.77) KDM4EALDH1A1GAAHPGDNPC1
SCHEMBL290020 0.81 KDM4E (0.56) KDM4EALDH1A1CDC7DBF4LMNA
SCHEMBL290249 0.81 KDM4E (0.76) KDM4EALDH1A1CDC7DBF4LMNA
SCHEMBL299133 0.81 LMNA (0.63) KDM4EALDH1A1CDC7DBF4LMNA
SCHEMBL289644 0.81 KDM4E (0.74) KDM4EALDH1A1CDC7DBF4LMNA

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