SCHEMBL289996

SCHEMBL289996

CCOC(=O)c1sc(-c2ccc(-c3ccc4ccccc4c3)cc2)nc1C

nearest known ligand 0.74

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CDC7 O00311 7/20 0.65
DBF4 Q9UBU7 7/20 0.65
DHODH Q02127 2/20 0.60
TRPM8 Q7Z2W7 5/20 0.58
LMNA P02545 1/20 0.58
KDM4E B2RXH2 3/20 0.56
ALDH1A1 P00352 1/20 0.56
MAPT P10636 4/20 0.53
SMN1; SMN2 Q16637 2/20 0.50
NPC1 O15118 2/20 0.50
RAB9A P51151 2/20 0.50
MEN1 O00255 1/20 0.50
HSP90AA1 P07900 1/20 0.50
CRHBP P24387 1/20 0.50
KMT2A Q03164 1/20 0.50
CRHR2 Q13324 1/20 0.50
HPGD P15428 1/20 0.50

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
SCHEMBL28295520 0.95 CDC7 (0.64) CDC7DBF4DHODHTRPM8LMNA
SCHEMBL289229 0.89 CDC7 (0.73) CDC7DBF4TRPM8LMNAKDM4E
SCHEMBL290104 0.87 KDM4E (0.59) CDC7DBF4DHODHTRPM8LMNA
SCHEMBL1316281 0.86 CDC7 (0.77) CDC7DBF4TRPM8LMNAKDM4E
SCHEMBL28295517 0.84 CDC7 (0.51) CDC7DBF4DHODHTRPM8LMNA
SCHEMBL2880861 0.84 CDC7 (0.67) CDC7DBF4TRPM8LMNAKDM4E
SCHEMBL289852 0.83 SMN1; SMN2 (0.73) LMNAKDM4EALDH1A1MAPTSMN1; SMN2
SCHEMBL2085303 0.83 CDC7 (0.73) CDC7DBF4TRPM8LMNAKDM4E
SCHEMBL892889 0.83 CDC7 (0.77) CDC7DBF4TRPM8LMNAKDM4E
SCHEMBL14109005 0.83 DHODH (0.60) CDC7DBF4DHODHTRPM8LMNA

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