SCHEMBL289549

SCHEMBL289549

CCOC(=O)c1sc(-c2ccc(-c3ccsc3)s2)nc1C

nearest known ligand 0.63

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CDC7 O00311 10/20 0.63
DBF4 Q9UBU7 10/20 0.63
KDM4E B2RXH2 1/20 0.61
ALDH1A1 P00352 1/20 0.61
LMNA P02545 1/20 0.51
TRPM8 Q7Z2W7 4/20 0.45
CHEK2 O96017 1/20 0.44
MAPT P10636 3/20 0.44
MEN1 O00255 1/20 0.44
USP2 O75604 1/20 0.44
ALOX15 P16050 1/20 0.44
KMT2A Q03164 1/20 0.44
HSD17B10 Q99714 1/20 0.44
NPC1 O15118 1/20 0.44
HPGD P15428 1/20 0.44
RAB9A P51151 1/20 0.44

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
SCHEMBL290243 0.89 CDC7 (0.79) CDC7DBF4KDM4EALDH1A1LMNA
SCHEMBL289730 0.85 CDC7 (0.79) CDC7DBF4KDM4EALDH1A1LMNA
Hydrochloric Acid SCHEMBL289729 0.84 CDC7 (0.77) CDC7DBF4KDM4EALDH1A1LMNA
SCHEMBL290675 0.84 KDM4E (0.62) CDC7DBF4KDM4EALDH1A1LMNA
SCHEMBL289156 0.84 ALDH1A1 (0.65) CDC7DBF4KDM4EALDH1A1LMNA
SCHEMBL290101 0.83 ALDH1A1 (0.64) CDC7DBF4KDM4EALDH1A1LMNA
SCHEMBL290278 0.82 KDM4E (0.66) CDC7DBF4KDM4EALDH1A1LMNA
SCHEMBL3827647 0.82 KDM4E (0.69) CDC7DBF4KDM4EALDH1A1LMNA
SCHEMBL289506 0.82 CDC7 (0.62) CDC7DBF4KDM4EALDH1A1LMNA
SCHEMBL290306 0.82 ALDH1A1 (0.59) CDC7DBF4KDM4EALDH1A1LMNA

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