SCHEMBL289769

SCHEMBL289769

CCOC(=O)c1sc(-c2ccc(-c3ccccc3C#N)s2)nc1C

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.57
KDM4E B2RXH2 3/20 0.57
LMNA P02545 2/20 0.53
CDC7 O00311 5/20 0.50
DBF4 Q9UBU7 5/20 0.50
NPC1 O15118 7/20 0.46
RAB9A P51151 7/20 0.46
MAPT P10636 3/20 0.46
HPGD P15428 3/20 0.46
TRPM8 Q7Z2W7 1/20 0.45
KMT2A Q03164 5/20 0.43
MEN1 O00255 4/20 0.43
CYP2C9 P11712 1/20 0.43
DHODH Q02127 1/20 0.42
SMN1; SMN2 Q16637 3/20 0.41
APOBEC3G Q9HC16 1/20 0.41
HSD17B10 Q99714 1/20 0.41
CASP3 P42574 1/20 0.41
SENP8 Q96LD8 1/20 0.41
SENP7 Q9BQF6 1/20 0.41

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
SCHEMBL290135 0.85 ALDH1A1 (0.62) ALDH1A1KDM4ELMNACDC7DBF4
SCHEMBL290379 0.83 ALDH1A1 (0.60) ALDH1A1KDM4ELMNACDC7DBF4
SCHEMBL290085 0.83 ALDH1A1 (0.60) ALDH1A1KDM4ELMNACDC7DBF4
SCHEMBL289907 0.82 ALDH1A1 (0.59) ALDH1A1KDM4ELMNACDC7DBF4
SCHEMBL289396 0.82 KDM4E (0.59) ALDH1A1KDM4ELMNACDC7DBF4
SCHEMBL290233 0.80 ALDH1A1 (0.57) ALDH1A1KDM4ELMNACDC7DBF4
SCHEMBL31550196 0.80 KDM4E (0.57) ALDH1A1KDM4ELMNACDC7DBF4
SCHEMBL31550203 0.80 KDM4E (0.57) ALDH1A1KDM4ELMNACDC7DBF4
SCHEMBL289156 0.80 ALDH1A1 (0.65) ALDH1A1KDM4ELMNACDC7DBF4
SCHEMBL289827 0.80 KDM4E (0.56) ALDH1A1KDM4ELMNACDC7DBF4

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