SCHEMBL290222

SCHEMBL290222

Cc1nc(-c2ccc(-c3cccs3)s2)sc1C(N)=O

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 6/20 0.64
GAA P10253 3/20 0.62
ALDH1A1 P00352 4/20 0.61
LMNA P02545 3/20 0.50
CYP1A2 P05177 1/20 0.50
CYP3A4 P08684 1/20 0.50
CYP2C19 P33261 1/20 0.50
IKBKB O14920 1/20 0.49
L3MBTL1 Q9Y468 2/20 0.46
GLA P06280 1/20 0.46
MAPT P10636 1/20 0.46
MEN1 O00255 2/20 0.44
NPC1 O15118 2/20 0.44
POLB P06746 2/20 0.44
RAB9A P51151 2/20 0.44
KMT2A Q03164 2/20 0.44
DPP4 P27487 1/20 0.43
ALOX5 P09917 1/20 0.43
LIMK1 P53667 1/20 0.41
SMN1; SMN2 Q16637 2/20 0.41

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
SCHEMBL288846 0.88 KDM4E (0.84) KDM4EGAAALDH1A1LMNAL3MBTL1
SCHEMBL288534 0.82 KDM4E (0.86) KDM4EGAAALDH1A1LMNAMAPT
SCHEMBL289139 0.82 KDM4E (0.86) KDM4EGAAALDH1A1LMNAMAPT
SCHEMBL3826145 0.81 LMNA (0.55) KDM4EGAAALDH1A1LMNACYP1A2
SCHEMBL3418775 0.79 KDM4E (1.00) KDM4EGAAALDH1A1L3MBTL1GLA
SCHEMBL13064325 0.79 KDM4E (0.49) KDM4EGAAALDH1A1LMNACYP1A2
SCHEMBL288141 0.79 KDM4E (0.78) KDM4EGAAALDH1A1LMNAL3MBTL1
SCHEMBL3827166 0.77 LMNA (0.51) KDM4EGAAALDH1A1LMNACYP1A2
SCHEMBL3059795 0.77 KDM4E (0.76) KDM4EGAAALDH1A1IKBKBL3MBTL1
SCHEMBL298290 0.77 KDM4E (1.00) KDM4EGAAALDH1A1LMNAMAPT

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 3 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
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