SCHEMBL298591

SCHEMBL298591

Cc1nc(-c2cccs2)sc1-c1ccn[nH]1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 8/20 0.64
ALDH1A1 P00352 5/20 0.64
COMT P21964 4/20 0.64
RAB9A P51151 4/20 0.64
NPC1 O15118 3/20 0.64
LMNA P02545 2/20 0.64
SMN1; SMN2 Q16637 2/20 0.64
POLB P06746 1/20 0.58
GAA P10253 2/20 0.56
L3MBTL1 Q9Y468 2/20 0.56
GLA P06280 1/20 0.56
HPGD P15428 1/20 0.39
HPGDS O60760 1/20 0.37
NFKB1 P19838 1/20 0.37
NFKB2 Q00653 1/20 0.37
RELA Q04206 1/20 0.37
GABRA1 P14867 1/20 0.36
GABRG2 P18507 1/20 0.36
GABRB3 P28472 1/20 0.36
GABRA5 P31644 1/20 0.36

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
SCHEMBL2301968 0.76 KDM4E (0.49) KDM4EALDH1A1COMTRAB9ANPC1
SCHEMBL188680 0.75 POLB (1.00) KDM4EALDH1A1RAB9ANPC1LMNA
SCHEMBL10091957 0.72 KDM4E (0.61) KDM4EALDH1A1RAB9ANPC1SMN1; SMN2
SCHEMBL27016991 0.69 KDM4E (0.58) KDM4EALDH1A1RAB9ANPC1SMN1; SMN2
SCHEMBL299787 0.69 KDM4E (0.73) KDM4EALDH1A1RAB9ANPC1LMNA
SCHEMBL28449600 0.69 KDM4E (0.55) KDM4EALDH1A1RAB9ANPC1GAA
SCHEMBL13064326 0.68 KDM4E (0.45) KDM4EALDH1A1RAB9ANPC1LMNA
SCHEMBL3436682 0.66 KDM4E (0.58) KDM4EALDH1A1RAB9ANPC1LMNA
SCHEMBL6168006 0.66 KDM4E (0.57) KDM4EALDH1A1RAB9ANPC1SMN1; SMN2
SCHEMBL288141 0.65 KDM4E (0.78) KDM4EALDH1A1RAB9ALMNASMN1; 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