SCHEMBL290387

SCHEMBL290387

COc1ccc2sc(-c3ccc(-c4nc(C)c(C(=O)O)s4)s3)cc2c1

nearest known ligand 0.47

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 5/20 0.47
SMN1; SMN2 Q16637 3/20 0.45
RAB9A P51151 3/20 0.44
GAA P10253 1/20 0.44
TARBP2 Q15633 1/20 0.44
CLK1 P49759 4/20 0.43
DYRK1A Q13627 2/20 0.43
DYRK1B Q9Y463 1/20 0.43
NPC1 O15118 1/20 0.42
POLB P06746 1/20 0.42
MAPT P10636 1/20 0.42
HDAC6 Q9UBN7 1/20 0.41
BACE1 P56817 1/20 0.41
KMT2A Q03164 1/20 0.41
PDE3B Q13370 1/20 0.40
PDE3A Q14432 1/20 0.40
ALDH1A1 P00352 1/20 0.40
CA2 P00918 1/20 0.40

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
SCHEMBL290105 0.87 KDM4E (0.53) KDM4ESMN1; SMN2RAB9AGAATARBP2
SCHEMBL289947 0.87 ALDH1A1 (0.53) KDM4ESMN1; SMN2RAB9AGAANPC1
SCHEMBL289832 0.86 KDM4E (0.49) KDM4ESMN1; SMN2RAB9AGAATARBP2
SCHEMBL289698 0.85 KDM4E (0.48) KDM4ESMN1; SMN2RAB9AGAATARBP2
SCHEMBL290238 0.83 SMN1; SMN2 (0.56) KDM4ESMN1; SMN2RAB9AGAATARBP2
SCHEMBL289635 0.80 KDM4E (0.57) KDM4ESMN1; SMN2RAB9AGAATARBP2
SCHEMBL290399 0.80 KDM4E (0.48) KDM4ESMN1; SMN2RAB9AGAATARBP2
SCHEMBL289964 0.79 SMN1; SMN2 (0.57) KDM4ESMN1; SMN2RAB9AGAATARBP2
SCHEMBL289699 0.77 KDM4E (0.61) KDM4ESMN1; SMN2RAB9AGAATARBP2
SCHEMBL290003 0.76 NPC1 (0.47) KDM4ESMN1; SMN2RAB9AGAACLK1

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