SCHEMBL298864

SCHEMBL298864

c1csc(-c2ccc(-c3nncs3)s2)c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 4/20 0.46
KDM4E B2RXH2 6/20 0.43
ALDH1A1 P00352 5/20 0.43
HSD17B10 Q99714 2/20 0.43
LTA4H P09960 1/20 0.43
EPHX2 P34913 1/20 0.43
L3MBTL1 Q9Y468 5/20 0.41
MAPT P10636 3/20 0.41
LMNA P02545 2/20 0.41
GAA P10253 2/20 0.41
GLA P06280 1/20 0.41
RAB9A P51151 4/20 0.40
MEN1 O00255 3/20 0.40
HPGD P15428 3/20 0.40
KMT2A Q03164 3/20 0.40
NPC1 O15118 2/20 0.40
TP53 P04637 1/20 0.40
POLB P06746 1/20 0.40
NFKB1 P19838 1/20 0.40
MAPK1 P28482 1/20 0.40

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
SCHEMBL262337 0.87 KDM4E (0.50) KDM4EALDH1A1HSD17B10EPHX2L3MBTL1
Alpha-Terthienyl SCHEMBL147274 0.78 DPP4 (0.65) DPP4KDM4EALDH1A1HSD17B10LTA4H
SCHEMBL499333 0.78 DPP4 (0.65) DPP4KDM4EALDH1A1HSD17B10LTA4H
SCHEMBL15957843 0.78 DPP4 (0.65) DPP4KDM4EALDH1A1HSD17B10LTA4H
SCHEMBL1105086 0.78 DPP4 (0.65) DPP4KDM4EALDH1A1HSD17B10LTA4H
SCHEMBL23611278 0.78 DPP4 (0.65) DPP4KDM4EALDH1A1HSD17B10LTA4H
SCHEMBL2742433 0.78 DPP4 (0.65) DPP4KDM4EALDH1A1HSD17B10LTA4H
SCHEMBL14703073 0.78 DPP4 (0.65) DPP4KDM4EALDH1A1HSD17B10LTA4H
SCHEMBL13707354 0.78 DPP4 (0.65) DPP4KDM4EALDH1A1HSD17B10LTA4H
SCHEMBL13942801 0.78 DPP4 (0.65) DPP4KDM4EALDH1A1HSD17B10LTA4H

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