SCHEMBL289156

SCHEMBL289156

CCOC(=O)c1sc(-c2ccc(-c3ccccc3)s2)nc1C

nearest known ligand 0.78

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.65
KDM4E B2RXH2 2/20 0.65
CDC7 O00311 4/20 0.61
DBF4 Q9UBU7 4/20 0.61
TRPM8 Q7Z2W7 4/20 0.61
LMNA P02545 1/20 0.60
HPGD P15428 4/20 0.55
NPC1 O15118 4/20 0.55
RAB9A P51151 3/20 0.55
MAPT P10636 3/20 0.55
KMT2A Q03164 4/20 0.54
SMN1; SMN2 Q16637 3/20 0.54
MEN1 O00255 3/20 0.54
HSD17B10 Q99714 2/20 0.54
CYP2C9 P11712 1/20 0.51
GAA P10253 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
SCHEMBL290101 0.99 ALDH1A1 (0.64) ALDH1A1KDM4ECDC7DBF4TRPM8
SCHEMBL290210 0.90 KDM4E (0.60) ALDH1A1KDM4ECDC7DBF4TRPM8
SCHEMBL290675 0.90 KDM4E (0.62) ALDH1A1KDM4ECDC7DBF4TRPM8
SCHEMBL290681 0.89 CDC7 (0.61) ALDH1A1KDM4ECDC7DBF4TRPM8
SCHEMBL289730 0.89 CDC7 (0.79) ALDH1A1KDM4ECDC7DBF4LMNA
SCHEMBL289325 0.88 TRPM8 (0.65) ALDH1A1KDM4ECDC7DBF4TRPM8
SCHEMBL290050 0.88 ALDH1A1 (0.58) ALDH1A1KDM4ECDC7DBF4TRPM8
SCHEMBL289979 0.88 TRPM8 (0.65) ALDH1A1KDM4ECDC7DBF4TRPM8
SCHEMBL289784 0.88 CDC7 (0.62) ALDH1A1KDM4ECDC7DBF4TRPM8
SCHEMBL1316281 0.88 CDC7 (0.77) ALDH1A1KDM4ECDC7DBF4TRPM8

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