SCHEMBL289878

SCHEMBL289878

CCOC(=O)c1sc(-c2sc(-c3ccc(C)cc3)cc2C)nc1C

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TRPM8 Q7Z2W7 6/20 0.56
CDC7 O00311 1/20 0.56
DBF4 Q9UBU7 1/20 0.56
KDM4E B2RXH2 7/20 0.54
ALDH1A1 P00352 3/20 0.54
MAPT P10636 5/20 0.50
LMNA P02545 3/20 0.50
NPSR1 Q6W5P4 1/20 0.50
SMN1; SMN2 Q16637 3/20 0.47
GAA P10253 2/20 0.47
RAB9A P51151 4/20 0.47
DHODH Q02127 1/20 0.46
NPC1 O15118 3/20 0.46
MEN1 O00255 2/20 0.46
KMT2A Q03164 2/20 0.46
TP53 P04637 1/20 0.46
HPGD P15428 1/20 0.46
CASP3 P42574 1/20 0.46
SENP8 Q96LD8 1/20 0.46
HSD17B10 Q99714 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
SCHEMBL892889 0.84 CDC7 (0.77) TRPM8CDC7DBF4KDM4EALDH1A1
SCHEMBL290675 0.83 KDM4E (0.62) TRPM8CDC7DBF4KDM4EALDH1A1
SCHEMBL289644 0.82 KDM4E (0.74) TRPM8CDC7DBF4KDM4EALDH1A1
SCHEMBL289540 0.81 KDM4E (0.54) TRPM8CDC7DBF4KDM4EALDH1A1
SCHEMBL289181 0.79 CDC7 (0.55) TRPM8CDC7DBF4KDM4EALDH1A1
SCHEMBL28295522 0.78 CDC7 (0.67) TRPM8CDC7DBF4KDM4EALDH1A1
SCHEMBL289613 0.77 KDM4E (0.78) TRPM8CDC7DBF4KDM4EALDH1A1
SCHEMBL12875919 0.77 CDC7 (0.66) TRPM8CDC7DBF4KDM4EALDH1A1
SCHEMBL290390 0.76 CDC7 (0.61) TRPM8CDC7DBF4KDM4EALDH1A1
SCHEMBL12186978 0.76 CDC7 (0.64) TRPM8CDC7DBF4KDM4EALDH1A1

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