SCHEMBL299623

SCHEMBL299623

CCOC(=O)c1sc(-c2ccc(-c3ccc4c(c3)OCO4)s2)nc1C

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.52
ALDH1A1 P00352 3/20 0.52
HSD17B10 Q99714 3/20 0.52
TP53 P04637 1/20 0.52
SMN1; SMN2 Q16637 1/20 0.52
CDC7 O00311 1/20 0.51
DBF4 Q9UBU7 1/20 0.51
HPGD P15428 2/20 0.50
CASP1 P29466 1/20 0.50
CASP7 P55210 1/20 0.50
DHODH Q02127 1/20 0.49
MEN1 O00255 1/20 0.48
ALOX15 P16050 1/20 0.48
MAPK1 P28482 1/20 0.48
KMT2A Q03164 1/20 0.48
PRKCI P41743 1/20 0.48
PRKCZ Q05513 1/20 0.48
SIRT2 Q8IXJ6 3/20 0.48
SIRT1 Q96EB6 2/20 0.48
SIRT3 Q9NTG7 1/20 0.48

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
SCHEMBL299617 0.86 KDM4E (0.50) KDM4EALDH1A1HSD17B10TP53SMN1; SMN2
SCHEMBL290675 0.81 KDM4E (0.62) KDM4EALDH1A1SMN1; SMN2CDC7DBF4
SCHEMBL290104 0.81 KDM4E (0.59) KDM4EALDH1A1SMN1; SMN2CDC7DBF4
SCHEMBL289848 0.80 KDM4E (0.55) KDM4EALDH1A1HSD17B10SMN1; SMN2CDC7
SCHEMBL290206 0.80 KDM4E (0.55) KDM4EALDH1A1CDC7DBF4DHODH
SCHEMBL290210 0.79 KDM4E (0.60) KDM4EALDH1A1HSD17B10SMN1; SMN2CDC7
SCHEMBL289746 0.79 TRPM8 (0.62) KDM4EALDH1A1SMN1; SMN2CDC7DBF4
SCHEMBL290306 0.79 ALDH1A1 (0.59) KDM4EALDH1A1HSD17B10TP53SMN1; SMN2
SCHEMBL289156 0.79 ALDH1A1 (0.65) KDM4EALDH1A1HSD17B10SMN1; SMN2CDC7
SCHEMBL289583 0.78 KDM4E (0.65) KDM4EALDH1A1SMN1; SMN2CDC7DBF4

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