SCHEMBL289893

SCHEMBL289893

CCOC(=O)c1sc(-c2ccc(-c3ccc(OC(F)(F)F)cc3)s2)nc1C

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 5/20 0.55
ALDH1A1 P00352 4/20 0.55
CDC7 O00311 1/20 0.54
DBF4 Q9UBU7 1/20 0.54
PPARD Q03181 1/20 0.50
PPARA Q07869 1/20 0.50
MAPT P10636 5/20 0.49
MEN1 O00255 3/20 0.49
KMT2A Q03164 3/20 0.49
HSP90AA1 P07900 1/20 0.49
CRHBP P24387 1/20 0.49
CRHR2 Q13324 1/20 0.49
LMNA P02545 2/20 0.48
TRPM8 Q7Z2W7 5/20 0.46
NPC1 O15118 3/20 0.46
RXFP1 Q9HBX9 2/20 0.46
NPSR1 Q6W5P4 1/20 0.46
ERCC5 P28715 1/20 0.45
FEN1 P39748 1/20 0.45
TP53 P04637 1/20 0.44

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
SCHEMBL290226 0.90 KDM4E (0.55) KDM4EALDH1A1CDC7DBF4MAPT
SCHEMBL5070783 0.90 CDC7 (0.67) KDM4EALDH1A1CDC7DBF4PPARD
SCHEMBL290306 0.89 ALDH1A1 (0.59) KDM4EALDH1A1CDC7DBF4MAPT
SCHEMBL289583 0.88 KDM4E (0.65) KDM4EALDH1A1CDC7DBF4PPARD
SCHEMBL290129 0.87 PPARA (0.53) KDM4EALDH1A1PPARDPPARAKMT2A
SCHEMBL289746 0.86 TRPM8 (0.62) KDM4EALDH1A1CDC7DBF4MAPT
SCHEMBL290675 0.86 KDM4E (0.62) KDM4EALDH1A1CDC7DBF4MAPT
SCHEMBL289156 0.83 ALDH1A1 (0.65) KDM4EALDH1A1CDC7DBF4MAPT
SCHEMBL290104 0.83 KDM4E (0.59) KDM4EALDH1A1CDC7DBF4MAPT
SCHEMBL290128 0.83 MAPT (0.69) KDM4EALDH1A1CDC7DBF4PPARA

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