SCHEMBL299998

SCHEMBL299998

CCOC(=O)c1sc(-c2ccc(Br)o2)nc1C

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDC7 O00311 5/20 0.57
DBF4 Q9UBU7 5/20 0.57
KDM4E B2RXH2 7/20 0.55
ALDH1A1 P00352 7/20 0.55
LMNA P02545 2/20 0.54
POLB P06746 1/20 0.54
PKM P14618 1/20 0.54
MAPT P10636 4/20 0.50
DHODH Q02127 2/20 0.50
NPSR1 Q6W5P4 1/20 0.50
HPGD P15428 4/20 0.47
RAB9A P51151 4/20 0.47
SMN1; SMN2 Q16637 3/20 0.47
TP53 P04637 2/20 0.47
HSP90AA1 P07900 1/20 0.47
TSHR P16473 1/20 0.47
NPC1 O15118 2/20 0.46
MEN1 O00255 1/20 0.46
ALOX15 P16050 1/20 0.46
KMT2A Q03164 1/20 0.46

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
SCHEMBL12034449 0.79 CDC7 (0.69) CDC7DBF4KDM4EALDH1A1LMNA
SCHEMBL299752 0.78 ALDH1A1 (0.60) CDC7DBF4KDM4EALDH1A1LMNA
SCHEMBL4464882 0.77 CDC7 (0.73) CDC7DBF4KDM4EALDH1A1LMNA
SCHEMBL290095 0.77 KDM4E (0.53) CDC7DBF4KDM4EALDH1A1LMNA
SCHEMBL289847 0.76 KDM4E (0.64) CDC7DBF4KDM4EALDH1A1LMNA
SCHEMBL289602 0.74 KDM4E (0.62) CDC7DBF4KDM4EALDH1A1LMNA
SCHEMBL3827647 0.74 KDM4E (0.69) CDC7DBF4KDM4EALDH1A1LMNA
SCHEMBL1316281 0.74 CDC7 (0.77) CDC7DBF4KDM4EALDH1A1LMNA
SCHEMBL892889 0.74 CDC7 (0.77) CDC7DBF4KDM4EALDH1A1LMNA
SCHEMBL288785 0.74 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