SCHEMBL298722

SCHEMBL298722

CC(C)(C)c1csc(-c2ccc(-c3ccccn3)s2)n1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 8/20 0.54
RAB9A P51151 6/20 0.54
MAPT P10636 5/20 0.54
NPC1 O15118 4/20 0.54
GLA P06280 2/20 0.54
PDE10A Q9Y233 1/20 0.48
POLB P06746 1/20 0.46
GAA P10253 1/20 0.46
CYP19A1 P11511 1/20 0.44
ATM Q13315 1/20 0.40
ALDH1A1 P00352 4/20 0.40
HSD17B10 Q99714 2/20 0.40
PKM P14618 1/20 0.40
GFER P55789 1/20 0.40
KDM4C Q9H3R0 1/20 0.40
CCR4 P51679 3/20 0.39
L3MBTL1 Q9Y468 2/20 0.39
LMNA P02545 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
TP53 P04637 1/20 0.39

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
SCHEMBL21366089 0.86 PDE10A (0.63) KDM4ERAB9AMAPTNPC1GLA
SCHEMBL10141714 0.77 ALDH1A1 (0.48) KDM4ERAB9AMAPTNPC1POLB
SCHEMBL298505 0.77 KDM4E (0.46) KDM4ERAB9AMAPTNPC1GLA
SCHEMBL299048 0.77 RAB9A (0.58) KDM4ERAB9AMAPTNPC1GLA
SCHEMBL3069800 0.74 KDM4E (1.00) KDM4ERAB9AMAPTNPC1GLA
SCHEMBL12529393 0.73 KDM4E (0.67) KDM4ERAB9AMAPTNPC1GLA
SCHEMBL28857293 0.72 KDM4E (0.95) KDM4ERAB9AMAPTNPC1GLA
SCHEMBL10119310 0.72 CCR4 (0.40) KDM4ERAB9AMAPTNPC1POLB
SCHEMBL26500183 0.72 KDM4E (0.70) KDM4ERAB9AMAPTNPC1GLA
SCHEMBL77482 0.70 KDM4E (0.58) KDM4ERAB9AMAPTNPC1POLB

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 4 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 claimed
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 claimed
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