SCHEMBL289827

SCHEMBL289827

CCOC(=O)c1sc(-c2ccc(-c3ccc(C#N)cc3)s2)nc1C

nearest known ligand 0.56

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 5/20 0.56
ALDH1A1 P00352 3/20 0.56
CDC7 O00311 5/20 0.55
DBF4 Q9UBU7 5/20 0.55
LMNA P02545 1/20 0.49
FNTA P49354 1/20 0.48
FNTB P49356 1/20 0.48
TRPM8 Q7Z2W7 6/20 0.46
MAPT P10636 4/20 0.45
HPGD P15428 2/20 0.44
MEN1 O00255 1/20 0.42
HSP90AA1 P07900 1/20 0.42
CRHBP P24387 1/20 0.42
KMT2A Q03164 1/20 0.42
CRHR2 Q13324 1/20 0.42
NPC1 O15118 1/20 0.42
RAB9A P51151 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42

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
SCHEMBL5899899 0.89 CDC7 (0.68) KDM4EALDH1A1CDC7DBF4LMNA
SCHEMBL290675 0.87 KDM4E (0.62) KDM4EALDH1A1CDC7DBF4LMNA
SCHEMBL290306 0.85 ALDH1A1 (0.59) KDM4EALDH1A1CDC7DBF4LMNA
SCHEMBL289746 0.85 TRPM8 (0.62) KDM4EALDH1A1CDC7DBF4LMNA
SCHEMBL289156 0.84 ALDH1A1 (0.65) KDM4EALDH1A1CDC7DBF4LMNA
SCHEMBL289730 0.83 CDC7 (0.79) KDM4EALDH1A1CDC7DBF4LMNA
SCHEMBL290101 0.83 ALDH1A1 (0.64) KDM4EALDH1A1CDC7DBF4LMNA
Hydrochloric Acid SCHEMBL289729 0.82 CDC7 (0.77) KDM4EALDH1A1CDC7DBF4LMNA
SCHEMBL289583 0.82 KDM4E (0.65) KDM4EALDH1A1CDC7DBF4LMNA
SCHEMBL289893 0.81 KDM4E (0.55) 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