SCHEMBL290306

SCHEMBL290306

CCOC(=O)c1sc(-c2ccc(-c3ccc(OC)cc3)s2)nc1C

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.59
KDM4E B2RXH2 4/20 0.59
CDC7 O00311 2/20 0.58
DBF4 Q9UBU7 2/20 0.58
MAPT P10636 3/20 0.56
NPC1 O15118 2/20 0.56
HPGD P15428 2/20 0.56
MEN1 O00255 2/20 0.56
KMT2A Q03164 2/20 0.56
TP53 P04637 1/20 0.56
CASP3 P42574 1/20 0.56
RAB9A P51151 1/20 0.56
SENP8 Q96LD8 1/20 0.56
HSD17B10 Q99714 1/20 0.56
SENP7 Q9BQF6 1/20 0.56
SENP6 Q9GZR1 1/20 0.56
RXFP1 Q9HBX9 2/20 0.55
NPSR1 Q6W5P4 1/20 0.55
GAA P10253 2/20 0.53
POLB P06746 1/20 0.53

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
SCHEMBL290675 0.90 KDM4E (0.62) ALDH1A1KDM4ECDC7DBF4MAPT
SCHEMBL2085303 0.89 CDC7 (0.73) ALDH1A1KDM4ECDC7DBF4MAPT
SCHEMBL290050 0.89 ALDH1A1 (0.58) ALDH1A1KDM4ECDC7DBF4MAPT
SCHEMBL289893 0.89 KDM4E (0.55) ALDH1A1KDM4ECDC7DBF4MAPT
SCHEMBL289746 0.88 TRPM8 (0.62) ALDH1A1KDM4ECDC7DBF4MAPT
SCHEMBL289156 0.88 ALDH1A1 (0.65) ALDH1A1KDM4ECDC7DBF4MAPT
SCHEMBL289730 0.86 CDC7 (0.79) ALDH1A1KDM4ECDC7DBF4LMNA
SCHEMBL290101 0.86 ALDH1A1 (0.64) ALDH1A1KDM4ECDC7DBF4MAPT
SCHEMBL289848 0.86 KDM4E (0.55) ALDH1A1KDM4ECDC7DBF4MAPT
Hydrochloric Acid SCHEMBL289729 0.85 CDC7 (0.77) 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