SCHEMBL289855

SCHEMBL289855

Cc1[c]sc(-c2ccc(Br)s2)n1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.44
KDM4E B2RXH2 4/20 0.44
RXFP1 Q9HBX9 3/20 0.44
RAB9A P51151 3/20 0.44
SMN1; SMN2 Q16637 3/20 0.44
HSD17B10 Q99714 2/20 0.44
PPARG P37231 2/20 0.44
NCOA2 Q15596 2/20 0.44
NPC1 O15118 2/20 0.44
ALDH1A1 P00352 2/20 0.44
TP53 P04637 1/20 0.44
HPGD P15428 1/20 0.44
NCOA1 Q15788 1/20 0.44
NPSR1 Q6W5P4 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
NCOA3 Q9Y6Q9 1/20 0.44
MEN1 O00255 3/20 0.39
KMT2A Q03164 3/20 0.39
ALOX12 P18054 2/20 0.39
ALOX15 P16050 1/20 0.39

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
SCHEMBL299865 0.69 KDM4E (0.45) MAPTKDM4ERXFP1RAB9ASMN1; SMN2
SCHEMBL10301440 0.69 MAPT (0.56) MAPTKDM4ERXFP1RAB9ASMN1; SMN2
SCHEMBL4090912 0.68 MAPT (0.44) MAPTKDM4ERXFP1RAB9ASMN1; SMN2
SCHEMBL299972 0.67 MAPT (0.42) MAPTKDM4ERXFP1RAB9ASMN1; SMN2
SCHEMBL8508163 0.66 MAPT (0.42) MAPTKDM4ERXFP1RAB9ASMN1; SMN2
SCHEMBL197157 0.66 SNCA (0.50) MAPTKDM4ERXFP1RAB9ASMN1; SMN2
SCHEMBL13183056 0.64 MAPT (0.47) MAPTKDM4ERXFP1RAB9ASMN1; SMN2
SCHEMBL10186730 0.64 KDM4E (0.61) MAPTKDM4ERXFP1RAB9ASMN1; SMN2
SCHEMBL884175 0.64
SCHEMBL289680 0.64 KDM4E (0.60) MAPTKDM4ERXFP1RAB9ASMN1; SMN2

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