SCHEMBL5038529

SCHEMBL5038529

COc1ccc(N2CCOCC2)cc1NC(=S)C(N)=O

nearest known ligand 0.56

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 8/20 0.56
▸ MEN1 O00255 5/20 0.56
▸ KMT2A Q03164 5/20 0.56
▸ ALDH1A1 P00352 5/20 0.56
▸ PKM P14618 1/20 0.56
▸ RAB9A P51151 2/20 0.53
▸ NPC1 O15118 1/20 0.53
▸ HIF1A Q16665 2/20 0.49
▸ POLB P06746 2/20 0.48
▸ HTT P42858 2/20 0.48
▸ HCRTR1 O43613 1/20 0.47
▸ MAPK10 P53779 1/20 0.46
▸ SMN1; SMN2 Q16637 2/20 0.46
▸ KDM4E B2RXH2 1/20 0.46
▸ HPGD P15428 1/20 0.45

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
SCHEMBL4775809 0.89 MAPT (0.54) MAPTMEN1KMT2AALDH1A1PKM
SCHEMBL3042603 0.88 ALDH1A1 (0.54) MAPTMEN1KMT2AALDH1A1PKM
SCHEMBL16106421 0.84 MAPT (0.58) MAPTMEN1KMT2AALDH1A1PKM
SCHEMBL5036825 0.83 MAPT (0.58) MAPTMEN1KMT2AALDH1A1PKM
SCHEMBL3053531 0.78 MAPT (0.66) MAPTMEN1KMT2AALDH1A1PKM
SCHEMBL4774886 0.77 MAPT (0.51) MAPTMEN1KMT2AALDH1A1PKM
SCHEMBL27403161 0.77 LRRK2 (0.52) MAPTMEN1KMT2AALDH1A1PKM
SCHEMBL4766240 0.76 HIF1A (0.59) MAPTMEN1KMT2AALDH1A1PKM
SCHEMBL30501370 0.76 NPC1 (0.65) MAPTMEN1KMT2AALDH1A1PKM
SCHEMBL20598315 0.76 NPC1 (0.65) MAPTMEN1KMT2AALDH1A1PKM

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1450796-B1 BENZOTHIAZOLE DERIVATIVES HOFFMANN LA ROCHE (CH) 2008-04-09 — — EP disclosed
EP-1450796-A1 BENZOTHIAZOLE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2004-09-01 — — EP disclosed
US-6596718-B1 A compound of formula I has a good affinity to the A2A receptor and is useful for the treatment of diseases mediated by this receptor. HOFFMANN-LA ROCHE INC. 2003-07-22 — — US disclosed
WO-2003045385-A1 BENZOTHIAZOLE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2003-06-05 — — WO disclosed
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