SCHEMBL289614

SCHEMBL289614

CCOC(=O)c1sc(-c2cc3ccccc3s2)nc1C

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 5/20 0.64
ALDH1A1 P00352 4/20 0.64
LMNA P02545 2/20 0.59
CDC7 O00311 4/20 0.56
DBF4 Q9UBU7 4/20 0.56
JAK2 O60674 1/20 0.53
JAK3 P52333 1/20 0.53
DHODH Q02127 2/20 0.52
NPC1 O15118 6/20 0.51
MAPT P10636 6/20 0.51
RAB9A P51151 5/20 0.51
HPGD P15428 3/20 0.51
TRPM8 Q7Z2W7 1/20 0.50
SMN1; SMN2 Q16637 3/20 0.47
MEN1 O00255 4/20 0.47
KMT2A Q03164 4/20 0.47
CYP2C9 P11712 1/20 0.47
USP2 O75604 1/20 0.46
GAA P10253 1/20 0.46
NPSR1 Q6W5P4 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
SCHEMBL288852 0.93 KDM4E (0.59) KDM4EALDH1A1LMNACDC7DBF4
SCHEMBL290167 0.92 KDM4E (0.56) KDM4EALDH1A1LMNACDC7DBF4
SCHEMBL290390 0.91 CDC7 (0.61) KDM4EALDH1A1LMNACDC7DBF4
SCHEMBL290020 0.91 KDM4E (0.56) KDM4EALDH1A1LMNACDC7DBF4
SCHEMBL290184 0.89 CDC7 (0.56) KDM4EALDH1A1LMNACDC7DBF4
SCHEMBL289540 0.89 KDM4E (0.54) KDM4EALDH1A1LMNACDC7DBF4
SCHEMBL290095 0.88 KDM4E (0.53) KDM4EALDH1A1LMNACDC7DBF4
SCHEMBL290427 0.87 CDC7 (0.57) KDM4EALDH1A1LMNACDC7DBF4
SCHEMBL289397 0.85 LMNA (0.54) KDM4EALDH1A1LMNACDC7DBF4
SCHEMBL289881 0.83 SMN1; SMN2 (0.61) KDM4EALDH1A1NPC1MAPTRAB9A

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