SCHEMBL288846

SCHEMBL288846

Cc1nc(-c2ccc(-c3cccs3)s2)sc1C(=O)O

nearest known ligand 0.84

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 10/20 0.84
ALDH1A1 P00352 6/20 0.63
GAA P10253 4/20 0.60
SMN1; SMN2 Q16637 4/20 0.56
RAB9A P51151 4/20 0.51
KMT2A Q03164 3/20 0.50
POLB P06746 3/20 0.49
NPC1 O15118 2/20 0.49
LMNA P02545 2/20 0.47
L3MBTL1 Q9Y468 2/20 0.47
GLA P06280 1/20 0.47
MAPT P10636 1/20 0.47
MEN1 O00255 2/20 0.46
HPGD P15428 2/20 0.43
NPSR1 Q6W5P4 1/20 0.43
TP53 P04637 1/20 0.42
NFKB1 P19838 1/20 0.42
MAPK1 P28482 1/20 0.42
CASP1 P29466 1/20 0.42
CASP7 P55210 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
SCHEMBL3418775 0.91 KDM4E (1.00) KDM4EALDH1A1GAASMN1; SMN2RAB9A
SCHEMBL290222 0.88 KDM4E (0.64) KDM4EALDH1A1GAASMN1; SMN2RAB9A
SCHEMBL289699 0.84 KDM4E (0.61) KDM4EALDH1A1GAASMN1; SMN2RAB9A
SCHEMBL289704 0.83 KDM4E (0.79) KDM4EALDH1A1GAASMN1; SMN2RAB9A
SCHEMBL288534 0.83 KDM4E (0.86) KDM4EALDH1A1GAASMN1; SMN2RAB9A
SCHEMBL289139 0.83 KDM4E (0.86) KDM4EALDH1A1GAASMN1; SMN2RAB9A
SCHEMBL289408 0.83 SMN1; SMN2 (0.72) KDM4EALDH1A1GAASMN1; SMN2RAB9A
SCHEMBL289248 0.82 KDM4E (0.77) KDM4EALDH1A1GAASMN1; SMN2RAB9A
SCHEMBL289908 0.82 KDM4E (0.76) KDM4EALDH1A1GAASMN1; SMN2RAB9A
SCHEMBL288501 0.82 KDM4E (0.71) 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