SCHEMBL5036825

SCHEMBL5036825

COc1ccc(N2CCOCC2)cc1NC(=S)C(=O)Nc1ccc(F)cc1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 10/20 0.58
▸ NPC1 O15118 2/20 0.58
▸ RAB9A P51151 2/20 0.58
▸ KMT2A Q03164 4/20 0.55
▸ ALDH1A1 P00352 4/20 0.55
▸ MEN1 O00255 3/20 0.55
▸ PKM P14618 1/20 0.55
▸ LMNA P02545 2/20 0.50
▸ NPSR1 Q6W5P4 1/20 0.50
▸ HCRTR1 O43613 1/20 0.50
▸ KDM4E B2RXH2 2/20 0.49
▸ ALOX15 P16050 1/20 0.49
▸ ALOX12 P18054 1/20 0.49
▸ MAPK1 P28482 1/20 0.49
▸ TDP1 Q9NUW8 1/20 0.49
▸ EPHX1 P07099 1/20 0.47
▸ MTOR P42345 1/20 0.47
▸ HTR1A P08908 1/20 0.47
▸ HTR1D P28221 1/20 0.47
▸ HTR1B P28222 1/20 0.47

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 0.84 MAPT (0.54) MAPTNPC1RAB9AKMT2AALDH1A1
SCHEMBL5038529 0.83 MAPT (0.56) MAPTNPC1RAB9AKMT2AALDH1A1
SCHEMBL16106421 0.79 MAPT (0.58) MAPTNPC1RAB9AKMT2AALDH1A1
SCHEMBL3042603 0.78 ALDH1A1 (0.54) MAPTNPC1RAB9AKMT2AALDH1A1
SCHEMBL4774886 0.74 MAPT (0.51) MAPTNPC1RAB9AKMT2AALDH1A1
SCHEMBL3053531 0.73 MAPT (0.66) MAPTNPC1RAB9AKMT2AALDH1A1
SCHEMBL4922234 0.73 MAPT (0.73) MAPTNPC1RAB9AKMT2AALDH1A1
SCHEMBL13009385 0.72 MAPT (0.58) MAPTNPC1RAB9AKMT2AALDH1A1
SCHEMBL27403161 0.72 LRRK2 (0.52) MAPTNPC1RAB9AKMT2AALDH1A1
SCHEMBL5462052 0.72 MAPT (0.58) MAPTNPC1RAB9AKMT2AALDH1A1

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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