SCHEMBL289672

SCHEMBL289672

CCOC(=O)c1cc(-c2ccc(Br)s2)ccc1C

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.47
MAPT P10636 6/20 0.47
RAB9A P51151 5/20 0.47
SMN1; SMN2 Q16637 5/20 0.47
NPC1 O15118 4/20 0.47
MEN1 O00255 3/20 0.47
KMT2A Q03164 3/20 0.47
GAA P10253 3/20 0.47
HSD17B10 Q99714 3/20 0.47
ALOX15 P16050 2/20 0.47
LMNA P02545 2/20 0.47
KDM4E B2RXH2 4/20 0.45
CYP1A2 P05177 1/20 0.45
CYP2C9 P11712 1/20 0.45
CYP2C19 P33261 1/20 0.45
RECQL P46063 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
SNCA P37840 1/20 0.44
HPGD P15428 6/20 0.44
TSHR P16473 1/20 0.41

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
SCHEMBL1505416 0.78 MAPT (0.51) ALDH1A1MAPTRAB9ASMN1; SMN2NPC1
SCHEMBL289667 0.77 JAK2 (0.49) ALDH1A1MAPTRAB9ASMN1; SMN2NPC1
SCHEMBL288828 0.77 HDAC1 (0.54) ALDH1A1MAPTRAB9ASMN1; SMN2NPC1
SCHEMBL7328943 0.75 TSHR (0.50) ALDH1A1MAPTRAB9ASMN1; SMN2NPC1
SCHEMBL288615 0.75 ALDH1A1 (0.55) ALDH1A1MAPTRAB9ASMN1; SMN2NPC1
SCHEMBL29571295 0.75 ALDH1A1 (0.55) ALDH1A1MAPTRAB9ASMN1; SMN2NPC1
SCHEMBL16265070 0.74 SNCA (0.49) ALDH1A1MAPTRAB9ASMN1; SMN2NPC1
SCHEMBL28757629 0.74 TSHR (0.58) ALDH1A1MAPTRAB9ASMN1; SMN2NPC1
SCHEMBL7329101 0.73 KDM4E (0.52) ALDH1A1MAPTRAB9ASMN1; SMN2NPC1
SCHEMBL12641002 0.73 TSHR (0.51) ALDH1A1MAPTRAB9ASMN1; SMN2NPC1

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