SCHEMBL4016302

SCHEMBL4016302

CC(=O)c1sc2nc(C#N)nn2c1C

nearest known ligand 0.59

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.59
HSD17B10 Q99714 1/20 0.59
KMT2A Q03164 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.30

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
SCHEMBL4019861 0.76 KDM4E (0.64) KDM4EHSD17B10KMT2A
SCHEMBL4014392 0.57 TNKS2 (0.44) KDM4EHSD17B10KMT2A
SCHEMBL16863715 0.57 ALDH1A1 (0.41) KDM4EHSD17B10
SCHEMBL13165457 0.56 RXFP1 (0.49) KMT2AL3MBTL1
SCHEMBL2075661 0.55 KDM4E (0.43) KDM4EHSD17B10KMT2AL3MBTL1
SCHEMBL11746774 0.54 ALDH1A1 (0.62) KDM4EHSD17B10KMT2AL3MBTL1
SCHEMBL13184255 0.54 MAPT (0.37) KDM4EHSD17B10KMT2AL3MBTL1
SCHEMBL211358 0.54 RXFP1 (0.50) KMT2AL3MBTL1
Bromide SCHEMBL6121613 0.53 SMN1; SMN2 (0.49) KMT2AL3MBTL1
SCHEMBL10672138 0.53 ALDH1A1 (0.49) KMT2AL3MBTL1

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
WO-2009087220-A1 USE OF THIAZOLOIMIDAZOLES, THIAZOLOTETRAZOLES AND THIAZOLOTRIAZOLES AS MGLUR5 ANTAGONISTS GLAXO GROUP LIMITED (GB) 2009-07-16 WO disclosed
WO-2009087220-A1 USE OF THIAZOLOIMIDAZOLES, THIAZOLOTETRAZOLES AND THIAZOLOTRIAZOLES AS MGLUR5 ANTAGONISTS GLAXO GROUP LIMITED (GB) 2009-07-16 WO disclosed