SCHEMBL289732

SCHEMBL289732

O=C(O)c1cnc(-c2ccc(-c3cccs3)s2)s1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.49
KDM4E B2RXH2 5/20 0.49
LMNA P02545 2/20 0.49
GAA P10253 2/20 0.49
L3MBTL1 Q9Y468 2/20 0.49
MAPT P10636 2/20 0.49
GLA P06280 1/20 0.49
NPC1 O15118 4/20 0.48
RAB9A P51151 4/20 0.48
SMN1; SMN2 Q16637 2/20 0.48
MEN1 O00255 2/20 0.48
KMT2A Q03164 2/20 0.48
HDAC1 Q13547 2/20 0.48
TP53 P04637 1/20 0.48
POLB P06746 1/20 0.48
HPGD P15428 1/20 0.48
NFKB1 P19838 1/20 0.48
MAPK1 P28482 1/20 0.48
CASP1 P29466 1/20 0.48
CASP7 P55210 1/20 0.48

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
SCHEMBL288491 0.80 CDC7 (0.60) ALDH1A1KDM4ELMNAGAAL3MBTL1
SCHEMBL289687 0.80 RAB9A (0.56) ALDH1A1KDM4EGAAMAPTNPC1
SCHEMBL498577 0.79 ALDH1A1 (0.69) ALDH1A1KDM4ELMNAGAAL3MBTL1
SCHEMBL2246884 0.79 DPP4 (0.47) ALDH1A1KDM4ELMNAGAAL3MBTL1
SCHEMBL4280023 0.79 ALDH1A1 (0.69) ALDH1A1KDM4ELMNAGAAL3MBTL1
SCHEMBL1761399 0.77 ALDH1A1 (0.71) ALDH1A1KDM4ELMNAGAAL3MBTL1
SCHEMBL13146542 0.75 ALDH1A1 (0.45) ALDH1A1KDM4ELMNAGAAL3MBTL1
SCHEMBL289461 0.75 DPP4 (0.44) ALDH1A1KDM4ELMNAGAAL3MBTL1
SCHEMBL13146570 0.75 ALDH1A1 (0.45) ALDH1A1KDM4ELMNAGAAL3MBTL1
SCHEMBL584121 0.75 DPP4 (0.64) ALDH1A1KDM4ELMNAGAAL3MBTL1

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