SCHEMBL288501

SCHEMBL288501

Cc1cc(-c2cccs2)sc1-c1nc(C)c(C(=O)O)s1

nearest known ligand 0.71

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 11/20 0.71
ALDH1A1 P00352 4/20 0.54
GAA P10253 3/20 0.52
SMN1; SMN2 Q16637 3/20 0.51
RAB9A P51151 4/20 0.47
KMT2A Q03164 2/20 0.46
POLB P06746 2/20 0.45
NPC1 O15118 2/20 0.45
MEN1 O00255 1/20 0.45
MAPT P10636 1/20 0.40
HPGD P15428 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
IKBKB O14920 1/20 0.39
TARBP2 Q15633 1/20 0.39
GLA P06280 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38

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
SCHEMBL289908 0.90 KDM4E (0.76) KDM4EALDH1A1GAASMN1; SMN2RAB9A
SCHEMBL289644 0.85 KDM4E (0.74) KDM4EALDH1A1GAASMN1; SMN2RAB9A
SCHEMBL3418775 0.84 KDM4E (1.00) KDM4EALDH1A1GAASMN1; SMN2RAB9A
SCHEMBL288846 0.82 KDM4E (0.84) KDM4EALDH1A1GAASMN1; SMN2RAB9A
SCHEMBL290152 0.81 SMN1; SMN2 (0.53) KDM4EALDH1A1GAASMN1; SMN2RAB9A
SCHEMBL289704 0.79 KDM4E (0.79) KDM4EALDH1A1GAASMN1; SMN2RAB9A
SCHEMBL289248 0.78 KDM4E (0.77) KDM4EALDH1A1GAASMN1; SMN2RAB9A
SCHEMBL27136935 0.78 KDM4E (0.55) KDM4EALDH1A1GAASMN1; SMN2RAB9A
SCHEMBL289613 0.75 KDM4E (0.78) KDM4EALDH1A1GAASMN1; SMN2RAB9A
SCHEMBL22734817 0.74 KDM4E (0.42) KDM4EALDH1A1GAASMN1; SMN2RAB9A

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