SCHEMBL289907

SCHEMBL289907

CCOC(=O)c1sc(-c2ccc(-c3ccccc3OC)s2)nc1C

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.59
KDM4E B2RXH2 4/20 0.59
LMNA P02545 3/20 0.55
HPGD P15428 4/20 0.54
SMN1; SMN2 Q16637 4/20 0.54
CDC7 O00311 4/20 0.52
DBF4 Q9UBU7 4/20 0.52
RAB9A P51151 5/20 0.50
NPC1 O15118 5/20 0.50
MAPT P10636 3/20 0.50
NPSR1 Q6W5P4 3/20 0.50
KMT2A Q03164 3/20 0.50
HSD17B10 Q99714 2/20 0.50
GAA P10253 2/20 0.50
MEN1 O00255 2/20 0.50
USP2 O75604 1/20 0.50
TDP1 Q9NUW8 1/20 0.50
APP P05067 1/20 0.50
TRPM8 Q7Z2W7 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.45

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
SCHEMBL288804 0.90 ALDH1A1 (0.56) ALDH1A1KDM4ELMNAHPGDSMN1; SMN2
SCHEMBL10997300 0.89 LMNA (0.60) ALDH1A1KDM4ELMNAHPGDSMN1; SMN2
SCHEMBL290135 0.87 ALDH1A1 (0.62) ALDH1A1KDM4ELMNAHPGDSMN1; SMN2
SCHEMBL289570 0.87 ALDH1A1 (0.55) ALDH1A1KDM4ELMNAHPGDSMN1; SMN2
SCHEMBL288845 0.87 ALDH1A1 (0.54) ALDH1A1KDM4ELMNAHPGDSMN1; SMN2
SCHEMBL289862 0.86 APP (0.55) ALDH1A1KDM4EHPGDSMN1; SMN2RAB9A
SCHEMBL290085 0.85 ALDH1A1 (0.60) ALDH1A1KDM4ELMNAHPGDSMN1; SMN2
SCHEMBL290379 0.85 ALDH1A1 (0.60) ALDH1A1KDM4ELMNAHPGDSMN1; SMN2
SCHEMBL289396 0.84 KDM4E (0.59) ALDH1A1KDM4ELMNAHPGDCDC7
SCHEMBL289769 0.82 ALDH1A1 (0.57) ALDH1A1KDM4ELMNAHPGDSMN1; SMN2

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