SCHEMBL290013

SCHEMBL290013

CCOC(=O)c1sc(-c2sc(-c3ccccc3)nc2C)nc1C

nearest known ligand 0.87

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CDC7 O00311 7/20 0.68
DBF4 Q9UBU7 7/20 0.68
TRPM8 Q7Z2W7 3/20 0.68
LMNA P02545 1/20 0.60
SMN1; SMN2 Q16637 2/20 0.59
ALDH1A1 P00352 5/20 0.58
KDM4E B2RXH2 1/20 0.58
HPGD P15428 3/20 0.57
NPC1 O15118 2/20 0.57
MAPT P10636 3/20 0.56
GAA P10253 1/20 0.56
NPSR1 Q6W5P4 1/20 0.56
RAB9A P51151 1/20 0.55
HSD17B10 Q99714 1/20 0.53
RARA P10276 1/20 0.53
RARB P10826 1/20 0.53
RARG P13631 1/20 0.53
L3MBTL1 Q9Y468 1/20 0.52

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
SCHEMBL1316281 0.93 CDC7 (0.77) CDC7DBF4TRPM8LMNASMN1; SMN2
SCHEMBL289229 0.91 CDC7 (0.73) CDC7DBF4TRPM8LMNASMN1; SMN2
SCHEMBL290681 0.89 CDC7 (0.61) CDC7DBF4TRPM8LMNASMN1; SMN2
SCHEMBL289554 0.84 SMN1; SMN2 (0.85) LMNASMN1; SMN2ALDH1A1KDM4EHPGD
SCHEMBL8867673 0.84 CDC7 (0.67) CDC7DBF4TRPM8LMNASMN1; SMN2
SCHEMBL2880861 0.84 CDC7 (0.67) CDC7DBF4TRPM8LMNASMN1; SMN2
SCHEMBL892889 0.82 CDC7 (0.77) CDC7DBF4TRPM8LMNASMN1; SMN2
SCHEMBL289156 0.82 ALDH1A1 (0.65) CDC7DBF4TRPM8LMNASMN1; SMN2
SCHEMBL8867028 0.82 CDC7 (0.71) CDC7DBF4TRPM8LMNASMN1; SMN2
SCHEMBL290384 0.81 CDC7 (0.75) CDC7DBF4TRPM8LMNAALDH1A1

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