SCHEMBL289268

SCHEMBL289268

Cc1nc(-c2ccc(-c3cccs3)s2)sc1CC=O

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 8/20 0.46
DPP4 P27487 4/20 0.46
GAA P10253 4/20 0.45
ALDH1A1 P00352 6/20 0.44
L3MBTL1 Q9Y468 3/20 0.41
LMNA P02545 3/20 0.41
GLA P06280 2/20 0.41
MAPT P10636 2/20 0.41
RAB9A P51151 3/20 0.40
NPC1 O15118 2/20 0.39
TP53 P04637 2/20 0.38
MEN1 O00255 1/20 0.38
POLB P06746 1/20 0.38
HPGD P15428 1/20 0.38
NFKB1 P19838 1/20 0.38
MAPK1 P28482 1/20 0.38
CASP1 P29466 1/20 0.38
CASP7 P55210 1/20 0.38
NFKB2 Q00653 1/20 0.38
KMT2A Q03164 1/20 0.38

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
SCHEMBL288142 0.92 KDM4E (0.54) KDM4EGAAALDH1A1L3MBTL1LMNA
SCHEMBL289837 0.82 DPP4 (0.53) KDM4EDPP4GAAALDH1A1L3MBTL1
SCHEMBL289322 0.77 CYP2A6 (0.48) KDM4ELMNAMAPTHDAC1
Hydrochloric Acid SCHEMBL289748 0.76 CYP2A6 (0.47) KDM4ELMNAMAPTHDAC1
SCHEMBL13064325 0.75 KDM4E (0.49) KDM4EDPP4GAAALDH1A1L3MBTL1
SCHEMBL288846 0.73 KDM4E (0.84) KDM4EGAAALDH1A1L3MBTL1LMNA
SCHEMBL851867 0.73 SMN1; SMN2 (0.51) KDM4EGAAALDH1A1L3MBTL1LMNA
SCHEMBL3436682 0.73 KDM4E (0.58) KDM4EDPP4GAAALDH1A1L3MBTL1
SCHEMBL290100 0.72 CYP2A6 (0.40)
SCHEMBL290222 0.72 KDM4E (0.64) KDM4EDPP4GAAALDH1A1L3MBTL1

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