SCHEMBL288142

SCHEMBL288142

Cc1nc(-c2cccs2)sc1CC=O

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 13/20 0.54
GAA P10253 2/20 0.52
ALDH1A1 P00352 6/20 0.51
RAB9A P51151 5/20 0.46
L3MBTL1 Q9Y468 3/20 0.46
GLA P06280 1/20 0.46
NPC1 O15118 2/20 0.42
PPARG P37231 1/20 0.40
NCOA2 Q15596 1/20 0.40
NCOA1 Q15788 1/20 0.40
RXFP1 Q9HBX9 1/20 0.40
FBP1 P09467 1/20 0.39
MAPT P10636 4/20 0.39
TP53 P04637 2/20 0.39
LMNA P02545 1/20 0.39
THRB P10828 1/20 0.39
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
HPGD P15428 1/20 0.38
CASP3 P42574 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
SCHEMBL289268 0.92 KDM4E (0.46) KDM4EGAAALDH1A1RAB9AL3MBTL1
SCHEMBL3436682 0.80 KDM4E (0.58) KDM4EGAAALDH1A1RAB9AL3MBTL1
SCHEMBL27567650 0.78 KDM4E (0.55) KDM4EGAAALDH1A1RAB9AL3MBTL1
SCHEMBL851867 0.77 SMN1; SMN2 (0.51) KDM4EGAAALDH1A1RAB9AL3MBTL1
SCHEMBL6168006 0.77 KDM4E (0.57) KDM4EGAAALDH1A1RAB9AL3MBTL1
SCHEMBL27503350 0.77 KDM4E (0.50) KDM4EGAAALDH1A1RAB9AL3MBTL1
SCHEMBL290100 0.76 CYP2A6 (0.40)
SCHEMBL10091957 0.74 KDM4E (0.61) KDM4EGAAALDH1A1RAB9AL3MBTL1
SCHEMBL289322 0.73 CYP2A6 (0.48) KDM4EMAPTLMNA
SCHEMBL289837 0.72 DPP4 (0.53) KDM4EGAAALDH1A1RAB9AL3MBTL1

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