SCHEMBL290029

SCHEMBL290029

CCOC(=O)c1sc(-c2cc(C)c(Br)s2)nc1C

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.60
KDM4E B2RXH2 5/20 0.60
CDC7 O00311 2/20 0.55
DBF4 Q9UBU7 2/20 0.55
LMNA P02545 2/20 0.52
MAPT P10636 7/20 0.48
DHODH Q02127 4/20 0.48
NPSR1 Q6W5P4 3/20 0.48
HPGD P15428 3/20 0.47
SMN1; SMN2 Q16637 2/20 0.47
HSD17B10 Q99714 2/20 0.47
GLA P06280 1/20 0.47
GAA P10253 1/20 0.47
CASP1 P29466 1/20 0.47
CASP7 P55210 1/20 0.47
ATM Q13315 1/20 0.47
MEN1 O00255 2/20 0.44
KMT2A Q03164 2/20 0.44
NPC1 O15118 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
SCHEMBL289847 0.80 KDM4E (0.64) ALDH1A1KDM4ECDC7DBF4LMNA
SCHEMBL12034449 0.80 CDC7 (0.69) ALDH1A1KDM4ECDC7DBF4LMNA
SCHEMBL289181 0.79 CDC7 (0.55) ALDH1A1KDM4ECDC7DBF4LMNA
SCHEMBL31550060 0.78 ALDH1A1 (0.53) ALDH1A1KDM4ECDC7DBF4LMNA
SCHEMBL3827647 0.78 KDM4E (0.69) ALDH1A1KDM4ECDC7DBF4LMNA
SCHEMBL289613 0.77 KDM4E (0.78) ALDH1A1KDM4ECDC7DBF4LMNA
SCHEMBL289110 0.77 ALDH1A1 (0.64) ALDH1A1KDM4ECDC7DBF4LMNA
SCHEMBL289614 0.77 KDM4E (0.64) ALDH1A1KDM4ECDC7DBF4LMNA
SCHEMBL290167 0.76 KDM4E (0.56) ALDH1A1KDM4ECDC7DBF4LMNA
SCHEMBL290278 0.76 KDM4E (0.66) 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