SCHEMBL289746

SCHEMBL289746

CCOC(=O)c1sc(-c2ccc(-c3ccc(F)cc3)s2)nc1C

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TRPM8 Q7Z2W7 5/20 0.62
KDM4E B2RXH2 7/20 0.59
ALDH1A1 P00352 5/20 0.59
CDC7 O00311 3/20 0.58
DBF4 Q9UBU7 3/20 0.58
LMNA P02545 3/20 0.57
MAPT P10636 4/20 0.56
SMN1; SMN2 Q16637 3/20 0.56
NPC1 O15118 3/20 0.56
RAB9A P51151 3/20 0.56
KMT2A Q03164 4/20 0.54
MEN1 O00255 3/20 0.54
HPGD P15428 2/20 0.54
NFKB1 P19838 1/20 0.54
NFKB2 Q00653 1/20 0.54
RELA Q04206 1/20 0.54
PKM P14618 2/20 0.50
MAPK1 P28482 1/20 0.49
NPSR1 Q6W5P4 1/20 0.49
HSP90AA1 P07900 1/20 0.47

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
SCHEMBL290675 0.90 KDM4E (0.62) TRPM8KDM4EALDH1A1CDC7DBF4
SCHEMBL2885887 0.89 TRPM8 (0.78) TRPM8KDM4EALDH1A1CDC7DBF4
SCHEMBL289325 0.89 TRPM8 (0.65) TRPM8KDM4EALDH1A1CDC7DBF4
SCHEMBL290306 0.88 ALDH1A1 (0.59) TRPM8KDM4EALDH1A1CDC7DBF4
SCHEMBL289156 0.88 ALDH1A1 (0.65) TRPM8KDM4EALDH1A1CDC7DBF4
SCHEMBL289583 0.87 KDM4E (0.65) TRPM8KDM4EALDH1A1CDC7DBF4
SCHEMBL290101 0.86 ALDH1A1 (0.64) TRPM8KDM4EALDH1A1CDC7DBF4
SCHEMBL289730 0.86 CDC7 (0.79) KDM4EALDH1A1CDC7DBF4LMNA
SCHEMBL289893 0.86 KDM4E (0.55) TRPM8KDM4EALDH1A1CDC7DBF4
Hydrochloric Acid SCHEMBL289729 0.85 CDC7 (0.77) KDM4EALDH1A1CDC7DBF4LMNA

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