SCHEMBL290210

SCHEMBL290210

CCOC(=O)c1sc(-c2ccc(-c3cccc(C)c3)s2)nc1C

nearest known ligand 0.64

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 5/20 0.60
ALDH1A1 P00352 4/20 0.60
CDC7 O00311 4/20 0.56
DBF4 Q9UBU7 4/20 0.56
LMNA P02545 2/20 0.53
MAPT P10636 8/20 0.50
TRPM8 Q7Z2W7 5/20 0.50
MEN1 O00255 4/20 0.50
KMT2A Q03164 4/20 0.50
NPC1 O15118 4/20 0.50
RAB9A P51151 4/20 0.50
GAA P10253 2/20 0.50
SMN1; SMN2 Q16637 2/20 0.49
CYP1A2 P05177 1/20 0.49
CYP2C19 P33261 1/20 0.49
KIFC1 Q9BW19 1/20 0.48
NPSR1 Q6W5P4 2/20 0.47
HPGD P15428 2/20 0.47
HSD17B10 Q99714 1/20 0.47

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
SCHEMBL289156 0.90 ALDH1A1 (0.65) KDM4EALDH1A1CDC7DBF4LMNA
SCHEMBL290101 0.89 ALDH1A1 (0.64) KDM4EALDH1A1CDC7DBF4LMNA
SCHEMBL12875919 0.89 CDC7 (0.66) KDM4EALDH1A1CDC7DBF4LMNA
SCHEMBL289979 0.89 TRPM8 (0.65) KDM4EALDH1A1CDC7DBF4LMNA
SCHEMBL289325 0.89 TRPM8 (0.65) KDM4EALDH1A1CDC7DBF4LMNA
SCHEMBL290050 0.89 ALDH1A1 (0.58) KDM4EALDH1A1CDC7DBF4LMNA
SCHEMBL290675 0.88 KDM4E (0.62) KDM4EALDH1A1CDC7DBF4LMNA
SCHEMBL289838 0.88 ALDH1A1 (0.57) KDM4EALDH1A1CDC7DBF4LMNA
SCHEMBL290128 0.87 MAPT (0.69) KDM4EALDH1A1CDC7DBF4LMNA
SCHEMBL289696 0.87 ALDH1A1 (0.56) 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