SCHEMBL290168

SCHEMBL290168

CCOC(=O)c1sc(-c2cc(C)cs2)nc1C.c1cc2sc3cc2cc1-3

nearest known ligand 0.55

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.55
ALDH1A1 P00352 2/20 0.55
CDC7 O00311 11/20 0.54
DBF4 Q9UBU7 11/20 0.54
LMNA P02545 2/20 0.46
TRPM8 Q7Z2W7 4/20 0.46
MAPT P10636 4/20 0.43
NPSR1 Q6W5P4 1/20 0.43
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
HSP90AA1 P07900 1/20 0.42
CRHBP P24387 1/20 0.42
CRHR2 Q13324 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
SCHEMBL289110 0.88 ALDH1A1 (0.64) KDM4EALDH1A1CDC7DBF4LMNA
SCHEMBL289759 0.82 KDM4E (0.61) KDM4EALDH1A1CDC7DBF4LMNA
SCHEMBL289509 0.80 KDM4E (0.55) KDM4EALDH1A1CDC7DBF4LMNA
SCHEMBL290390 0.78 CDC7 (0.61) KDM4EALDH1A1CDC7DBF4LMNA
SCHEMBL289624 0.78 KDM4E (0.58) KDM4EALDH1A1CDC7DBF4LMNA
SCHEMBL289614 0.78 KDM4E (0.64) KDM4EALDH1A1CDC7DBF4LMNA
SCHEMBL289894 0.77 ALDH1A1 (0.63) KDM4EALDH1A1CDC7DBF4LMNA
SCHEMBL290184 0.77 CDC7 (0.56) KDM4EALDH1A1CDC7DBF4LMNA
SCHEMBL289947 0.76 ALDH1A1 (0.53) KDM4EALDH1A1CDC7DBF4LMNA
SCHEMBL289679 0.76 KDM4E (0.53) 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