SCHEMBL290226

SCHEMBL290226

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

nearest known ligand 0.58

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.55
ALDH1A1 P00352 4/20 0.55
CDC7 O00311 5/20 0.51
DBF4 Q9UBU7 5/20 0.51
MAPT P10636 4/20 0.51
MEN1 O00255 3/20 0.51
KMT2A Q03164 3/20 0.51
TRPM8 Q7Z2W7 5/20 0.48
LMNA P02545 1/20 0.48
HSP90AA1 P07900 1/20 0.44
CRHBP P24387 1/20 0.44
CRHR2 Q13324 1/20 0.44
SMN1; SMN2 Q16637 2/20 0.43
NPC1 O15118 1/20 0.43
HPGD P15428 1/20 0.43
RAB9A P51151 1/20 0.43
HSD17B10 Q99714 1/20 0.43
DHODH Q02127 2/20 0.43
HDAC6 Q9UBN7 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
SCHEMBL289893 0.90 KDM4E (0.55) KDM4EALDH1A1CDC7DBF4MAPT
SCHEMBL290050 0.90 ALDH1A1 (0.58) KDM4EALDH1A1CDC7DBF4MAPT
SCHEMBL290128 0.86 MAPT (0.69) KDM4EALDH1A1CDC7DBF4MAPT
SCHEMBL289325 0.86 TRPM8 (0.65) KDM4EALDH1A1CDC7DBF4MAPT
SCHEMBL290210 0.86 KDM4E (0.60) KDM4EALDH1A1CDC7DBF4MAPT
SCHEMBL289156 0.85 ALDH1A1 (0.65) KDM4EALDH1A1CDC7DBF4MAPT
SCHEMBL290101 0.84 ALDH1A1 (0.64) KDM4EALDH1A1CDC7DBF4MAPT
SCHEMBL289979 0.84 TRPM8 (0.65) KDM4EALDH1A1CDC7DBF4MAPT
SCHEMBL289838 0.83 ALDH1A1 (0.57) KDM4EALDH1A1CDC7DBF4MAPT
SCHEMBL289583 0.83 KDM4E (0.65) KDM4EALDH1A1CDC7DBF4MAPT

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