SCHEMBL298290

SCHEMBL298290

Cc1nc(-c2cccs2)sc1C(=O)NN

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 8/20 1.00
GAA P10253 7/20 1.00
ALDH1A1 P00352 8/20 0.80
MAPT P10636 1/20 0.64
SMN1; SMN2 Q16637 1/20 0.64
NPC1 O15118 2/20 0.57
HPGD P15428 2/20 0.49
NPSR1 Q6W5P4 1/20 0.49
LMNA P02545 1/20 0.47
RAB9A P51151 1/20 0.45

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
SCHEMBL3059795 0.84 KDM4E (0.76) KDM4EGAAALDH1A1MAPTSMN1; SMN2
SCHEMBL288141 0.82 KDM4E (0.78) KDM4EGAAALDH1A1MAPTSMN1; SMN2
SCHEMBL3418775 0.82 KDM4E (1.00) KDM4EGAAALDH1A1SMN1; SMN2NPC1
SCHEMBL290132 0.80 KDM4E (1.00) KDM4EGAAALDH1A1MAPTSMN1; SMN2
Decane SCHEMBL28453162 0.79 KDM4E (0.64) KDM4EGAAALDH1A1MAPTSMN1; SMN2
SCHEMBL290222 0.77 KDM4E (0.64) KDM4EGAAALDH1A1MAPTSMN1; SMN2
SCHEMBL288846 0.75 KDM4E (0.84) KDM4EGAAALDH1A1MAPTSMN1; SMN2
SCHEMBL4167344 0.74 ALDH1A1 (0.67) KDM4EGAAALDH1A1MAPTSMN1; SMN2
SCHEMBL14800165 0.73 GAA (1.00) KDM4EGAAALDH1A1MAPTSMN1; SMN2
SCHEMBL289139 0.73 KDM4E (0.86) KDM4EGAAALDH1A1MAPTSMN1; SMN2

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