SCHEMBL289947

SCHEMBL289947

CCOC(=O)c1sc(-c2ccc(-c3cc4cc(OC)ccc4s3)s2)nc1C

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.53
KDM4E B2RXH2 7/20 0.53
CDC7 O00311 3/20 0.49
DBF4 Q9UBU7 3/20 0.49
NPC1 O15118 4/20 0.47
RXFP1 Q9HBX9 2/20 0.47
NPSR1 Q6W5P4 2/20 0.47
LMNA P02545 4/20 0.47
HPGD P15428 5/20 0.46
MAPT P10636 4/20 0.43
MEN1 O00255 4/20 0.42
KMT2A Q03164 4/20 0.42
RAB9A P51151 3/20 0.42
GAA P10253 2/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
HSD17B10 Q99714 2/20 0.42
POLB P06746 1/20 0.42
TP53 P04637 1/20 0.42
CASP3 P42574 1/20 0.42
SENP8 Q96LD8 1/20 0.42

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
SCHEMBL289509 0.89 KDM4E (0.55) ALDH1A1KDM4ECDC7DBF4NPC1
SCHEMBL289679 0.87 KDM4E (0.53) ALDH1A1KDM4ECDC7DBF4NPC1
SCHEMBL290387 0.87 KDM4E (0.47) ALDH1A1KDM4ENPC1MAPTKMT2A
SCHEMBL288852 0.86 KDM4E (0.59) ALDH1A1KDM4ECDC7DBF4NPC1
SCHEMBL290306 0.82 ALDH1A1 (0.59) ALDH1A1KDM4ECDC7DBF4NPC1
SCHEMBL288845 0.82 ALDH1A1 (0.54) ALDH1A1KDM4ECDC7DBF4NPC1
SCHEMBL290050 0.81 ALDH1A1 (0.58) ALDH1A1KDM4ECDC7DBF4NPC1
SCHEMBL20176200 0.81 KDM4E (0.50) ALDH1A1KDM4ECDC7DBF4NPC1
SCHEMBL290278 0.80 KDM4E (0.66) ALDH1A1KDM4ECDC7DBF4NPC1
SCHEMBL289614 0.78 KDM4E (0.64) ALDH1A1KDM4ECDC7DBF4NPC1

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