SCHEMBL5185015

SCHEMBL5185015

Cc1cc(Nc2nc(C(=O)O)cs2)on1

nearest known ligand 0.51

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.51
ALDH1A1 P00352 4/20 0.46
SMN1; SMN2 Q16637 2/20 0.46
NPC1 O15118 1/20 0.44
RAB9A P51151 1/20 0.44
GAA P10253 2/20 0.43
HCAR2 Q8TDS4 1/20 0.42
POLB P06746 1/20 0.42
HTR2C P28335 2/20 0.40
KDM1A O60341 4/20 0.40
ACHE P22303 1/20 0.39
MAPT P10636 1/20 0.39
MAPK1 P28482 1/20 0.39
GFER P55789 1/20 0.39
KDM4E B2RXH2 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
SCHEMBL4927053 0.75 L3MBTL1 (0.55) L3MBTL1ALDH1A1SMN1; SMN2NPC1RAB9A
SCHEMBL4927035 0.72 CCR4 (0.57) L3MBTL1ALDH1A1SMN1; SMN2NPC1RAB9A
SCHEMBL5200233 0.72 MAPT (0.68) L3MBTL1ALDH1A1SMN1; SMN2NPC1RAB9A
SCHEMBL2828892 0.71 MAPT (0.66) L3MBTL1ALDH1A1SMN1; SMN2NPC1RAB9A
SCHEMBL1809197 0.71 L3MBTL1 (0.68) L3MBTL1ALDH1A1NPC1RAB9AGAA
SCHEMBL4926839 0.71 L3MBTL1 (0.54) L3MBTL1ALDH1A1NPC1RAB9AGAA
SCHEMBL2826565 0.70 ALDH1A1 (0.44) ALDH1A1SMN1; SMN2NPC1RAB9AHCAR2
SCHEMBL2744060 0.70 L3MBTL1 (0.62) L3MBTL1ALDH1A1NPC1RAB9AGAA
Hydrochloric Acid SCHEMBL12080962 0.70 L3MBTL1 (0.66) L3MBTL1ALDH1A1NPC1RAB9AGAA
SCHEMBL16766112 0.69 L3MBTL1 (0.46) L3MBTL1ALDH1A1SMN1; SMN2NPC1RAB9A

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-1844044-A1 THIAZOLE-4-CARBOXAMIDE DERIVATIVES AS MGLUR5 ANTAGONISTS F.HOFFMANN-LA ROCHE AG (CH) 2007-10-17 EP claimed
WO-2006074884-A1 THIAZOLE-4-CARBOXAMIDE DERIVATIVES AS MGLUR5 ANTAGONISTS F.HOFFMANN-LA ROCHE AG (CH) 2006-07-20 WO claimed