SCHEMBL289507

SCHEMBL289507

CCOC(=O)c1sc(-c2ccc(-c3cc(-c4ccccc4)cs3)s2)nc1C

nearest known ligand 0.65

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.58
KDM4E B2RXH2 3/20 0.58
CDC7 O00311 4/20 0.55
DBF4 Q9UBU7 4/20 0.55
TRPM8 Q7Z2W7 4/20 0.52
LMNA P02545 1/20 0.52
NPC1 O15118 4/20 0.47
HPGD P15428 4/20 0.47
MAPT P10636 3/20 0.47
RAB9A P51151 3/20 0.47
KMT2A Q03164 3/20 0.46
HSD17B10 Q99714 2/20 0.46
MEN1 O00255 2/20 0.46
SMN1; SMN2 Q16637 2/20 0.46
GAA P10253 1/20 0.44
MAPK1 P28482 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
KIFC1 Q9BW19 1/20 0.44
CYP2C9 P11712 1/20 0.44

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
SCHEMBL289894 0.93 ALDH1A1 (0.63) ALDH1A1KDM4ECDC7DBF4TRPM8
SCHEMBL290101 0.88 ALDH1A1 (0.64) ALDH1A1KDM4ECDC7DBF4TRPM8
SCHEMBL289772 0.87 SMN1; SMN2 (0.60) ALDH1A1KDM4ELMNANPC1HPGD
SCHEMBL289156 0.86 ALDH1A1 (0.65) ALDH1A1KDM4ECDC7DBF4TRPM8
SCHEMBL289759 0.85 KDM4E (0.61) ALDH1A1KDM4ECDC7DBF4TRPM8
SCHEMBL290681 0.81 CDC7 (0.61) ALDH1A1KDM4ECDC7DBF4TRPM8
SCHEMBL288852 0.81 KDM4E (0.59) ALDH1A1KDM4ECDC7DBF4TRPM8
SCHEMBL289229 0.80 CDC7 (0.73) ALDH1A1KDM4ECDC7DBF4TRPM8
SCHEMBL290278 0.80 KDM4E (0.66) ALDH1A1KDM4ECDC7DBF4TRPM8
SCHEMBL290210 0.80 KDM4E (0.60) 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