SCHEMBL299729

SCHEMBL299729

CCOC(=O)c1nnc(-c2ccc(-c3cccs3)s2)s1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 11/20 0.54
KDM4E B2RXH2 10/20 0.54
KMT2A Q03164 3/20 0.47
RAB9A P51151 5/20 0.47
GAA P10253 5/20 0.45
MAPT P10636 4/20 0.45
KEAP1 Q14145 1/20 0.45
DPP4 P27487 1/20 0.45
HPGD P15428 6/20 0.44
HSD17B10 Q99714 4/20 0.44
AHR P35869 1/20 0.44
NPC1 O15118 4/20 0.44
SMN1; SMN2 Q16637 2/20 0.43
PPARG P37231 1/20 0.43
NCOA2 Q15596 1/20 0.43
NCOA1 Q15788 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
NCOA3 Q9Y6Q9 1/20 0.43
LMNA P02545 1/20 0.43
GLA P06280 1/20 0.43

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
SCHEMBL288534 0.79 KDM4E (0.86) ALDH1A1KDM4EKMT2ARAB9AGAA
SCHEMBL289139 0.79 KDM4E (0.86) ALDH1A1KDM4EKMT2ARAB9AGAA
SCHEMBL288491 0.79 CDC7 (0.60) ALDH1A1KDM4EKMT2ARAB9AGAA
SCHEMBL14582053 0.79 ALDH1A1 (0.60) ALDH1A1KDM4EKMT2ARAB9AGAA
SCHEMBL5759200 0.78 ALDH1A1 (0.56) ALDH1A1KDM4EKMT2AGAAMAPT
SCHEMBL2162886 0.77 KDM4E (0.58) ALDH1A1KDM4EKMT2ARAB9AGAA
SCHEMBL2179717 0.74 TRPM8 (0.58) ALDH1A1KDM4EKMT2ARAB9AGAA
SCHEMBL298601 0.73 KDM4E (0.50) ALDH1A1KDM4EKMT2ARAB9AGAA
SCHEMBL17212202 0.73 CDC7 (0.62) ALDH1A1KDM4EKMT2AGAAHPGD
SCHEMBL289682 0.73 ALDH1A1 (0.61) ALDH1A1KDM4EKMT2ARAB9AGAA

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