SCHEMBL290681

SCHEMBL290681

CCOC(=O)c1sc(-c2ccc(-c3sc(-c4ccccc4)nc3C)s2)nc1C

nearest known ligand 0.77

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CDC7 O00311 7/20 0.61
DBF4 Q9UBU7 7/20 0.61
TRPM8 Q7Z2W7 3/20 0.61
ALDH1A1 P00352 4/20 0.59
KDM4E B2RXH2 1/20 0.59
LMNA P02545 1/20 0.55
SMN1; SMN2 Q16637 2/20 0.54
MAPT P10636 2/20 0.54
GAA P10253 1/20 0.54
HPGD P15428 3/20 0.52
NPC1 O15118 3/20 0.52
RAB9A P51151 2/20 0.50
NPSR1 Q6W5P4 1/20 0.50
KMT2A Q03164 1/20 0.49
RARA P10276 1/20 0.48
RARB P10826 1/20 0.48
RARG P13631 1/20 0.48
HSD17B10 Q99714 1/20 0.48

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
SCHEMBL290013 0.89 CDC7 (0.68) CDC7DBF4TRPM8ALDH1A1KDM4E
SCHEMBL289156 0.89 ALDH1A1 (0.65) CDC7DBF4TRPM8ALDH1A1KDM4E
SCHEMBL290101 0.88 ALDH1A1 (0.64) CDC7DBF4TRPM8ALDH1A1KDM4E
SCHEMBL1316281 0.88 CDC7 (0.77) CDC7DBF4TRPM8ALDH1A1KDM4E
SCHEMBL289308 0.86 KDM4E (0.60) CDC7DBF4TRPM8ALDH1A1KDM4E
SCHEMBL290151 0.86 SMN1; SMN2 (0.74) ALDH1A1KDM4ELMNASMN1; SMN2MAPT
SCHEMBL289229 0.85 CDC7 (0.73) CDC7DBF4TRPM8ALDH1A1KDM4E
SCHEMBL289507 0.81 ALDH1A1 (0.58) CDC7DBF4TRPM8ALDH1A1KDM4E
SCHEMBL289784 0.81 CDC7 (0.62) CDC7DBF4TRPM8ALDH1A1KDM4E
SCHEMBL290210 0.81 KDM4E (0.60) CDC7DBF4TRPM8ALDH1A1KDM4E

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