SCHEMBL289161

SCHEMBL289161

CCOC(=O)c1sc(-c2ccc(-c3ccoc3)s2)nc1C

nearest known ligand 0.57

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.57
KDM4E B2RXH2 2/20 0.57
CDC7 O00311 8/20 0.56
DBF4 Q9UBU7 8/20 0.56
LMNA P02545 1/20 0.50
TRPM8 Q7Z2W7 4/20 0.44
RAB9A P51151 3/20 0.43
MAPT P10636 2/20 0.43
HPGD P15428 2/20 0.43
NPC1 O15118 1/20 0.43
HSD17B10 Q99714 1/20 0.43
SMN1; SMN2 Q16637 2/20 0.42
TP53 P04637 1/20 0.42
HSP90AA1 P07900 1/20 0.42
TSHR P16473 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
SCHEMBL289880 0.84 SMN1; SMN2 (0.54) ALDH1A1KDM4ERAB9AMAPTHPGD
SCHEMBL290675 0.83 KDM4E (0.62) ALDH1A1KDM4ECDC7DBF4LMNA
SCHEMBL289156 0.83 ALDH1A1 (0.65) ALDH1A1KDM4ECDC7DBF4LMNA
SCHEMBL289730 0.82 CDC7 (0.79) ALDH1A1KDM4ECDC7DBF4LMNA
SCHEMBL290101 0.82 ALDH1A1 (0.64) ALDH1A1KDM4ECDC7DBF4LMNA
SCHEMBL290278 0.81 KDM4E (0.66) ALDH1A1KDM4ECDC7DBF4LMNA
SCHEMBL3827647 0.81 KDM4E (0.69) ALDH1A1KDM4ECDC7DBF4LMNA
SCHEMBL289746 0.81 TRPM8 (0.62) ALDH1A1KDM4ECDC7DBF4LMNA
SCHEMBL290306 0.81 ALDH1A1 (0.59) ALDH1A1KDM4ECDC7DBF4LMNA
SCHEMBL289506 0.81 CDC7 (0.62) ALDH1A1KDM4ECDC7DBF4LMNA

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