SCHEMBL288491

SCHEMBL288491

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

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDC7 O00311 1/20 0.60
DBF4 Q9UBU7 1/20 0.60
ALDH1A1 P00352 9/20 0.53
KDM4E B2RXH2 5/20 0.53
KMT2A Q03164 2/20 0.46
NPC1 O15118 3/20 0.45
RAB9A P51151 3/20 0.45
GAA P10253 4/20 0.45
MAPT P10636 4/20 0.45
LMNA P02545 3/20 0.45
L3MBTL1 Q9Y468 2/20 0.45
GLA P06280 1/20 0.45
KEAP1 Q14145 1/20 0.44
DPP4 P27487 1/20 0.44
HPGD P15428 6/20 0.43
CASP1 P29466 2/20 0.43
NPSR1 Q6W5P4 3/20 0.42
HIF1A Q16665 1/20 0.42
TSHR P16473 1/20 0.42
TDP1 Q9NUW8 1/20 0.42

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
SCHEMBL298267 0.92 CDC7 (0.65) CDC7DBF4ALDH1A1KDM4EKMT2A
SCHEMBL14582053 0.83 ALDH1A1 (0.60) ALDH1A1KDM4EKMT2ANPC1RAB9A
SCHEMBL289917 0.82 CDC7 (0.62) CDC7DBF4ALDH1A1KDM4EKMT2A
SCHEMBL289732 0.80 ALDH1A1 (0.49) ALDH1A1KDM4EKMT2ANPC1RAB9A
SCHEMBL298659 0.80 CDC7 (0.61) CDC7DBF4ALDH1A1KMT2ANPC1
SCHEMBL290424 0.79 CDC7 (0.52) CDC7DBF4ALDH1A1KDM4ENPC1
SCHEMBL299729 0.79 ALDH1A1 (0.54) ALDH1A1KDM4EKMT2ANPC1RAB9A
SCHEMBL289139 0.78 KDM4E (0.86) CDC7DBF4ALDH1A1KDM4EKMT2A
SCHEMBL288534 0.78 KDM4E (0.86) CDC7DBF4ALDH1A1KDM4EKMT2A
SCHEMBL5759200 0.77 ALDH1A1 (0.56) CDC7DBF4ALDH1A1KDM4EKMT2A

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