SCHEMBL289602

SCHEMBL289602

CCOC(=O)c1sc(-c2ccsc2Br)nc1C

nearest known ligand 0.62

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 6/20 0.62
ALDH1A1 P00352 3/20 0.62
CDC7 O00311 6/20 0.57
DBF4 Q9UBU7 6/20 0.57
LMNA P02545 2/20 0.54
MAPT P10636 5/20 0.50
NPSR1 Q6W5P4 2/20 0.50
DHODH Q02127 2/20 0.50
NPC1 O15118 3/20 0.47
RAB9A P51151 3/20 0.47
HPGD P15428 3/20 0.47
SMN1; SMN2 Q16637 2/20 0.47
POLB P06746 1/20 0.46
PKM P14618 1/20 0.46
RXFP1 Q9HBX9 1/20 0.46
TRPM8 Q7Z2W7 2/20 0.45
HTT P42858 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
SCHEMBL290007 0.80 KDM4E (0.76) KDM4EALDH1A1CDC7DBF4LMNA
SCHEMBL289421 0.79 ALDH1A1 (0.64) KDM4EALDH1A1CDC7DBF4LMNA
SCHEMBL12034449 0.79 CDC7 (0.69) KDM4EALDH1A1CDC7DBF4LMNA
SCHEMBL3367686 0.78 CDC7 (0.55) KDM4EALDH1A1CDC7DBF4LMNA
SCHEMBL4464882 0.77 CDC7 (0.73) KDM4EALDH1A1CDC7DBF4LMNA
SCHEMBL289870 0.77 KDM4E (0.56) KDM4EALDH1A1CDC7DBF4LMNA
SCHEMBL288994 0.77 KDM4E (0.80) KDM4EALDH1A1CDC7DBF4LMNA
SCHEMBL299133 0.76 LMNA (0.63) KDM4EALDH1A1CDC7DBF4LMNA
SCHEMBL289847 0.76 KDM4E (0.64) KDM4EALDH1A1CDC7DBF4LMNA
SCHEMBL290132 0.76 KDM4E (1.00) KDM4EALDH1A1CDC7DBF4LMNA

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