SCHEMBL5034166

SCHEMBL5034166

NC(=O)CN1Cc2ccccc2C1=O

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.60
ALOX15 P16050 2/20 0.60
TSHR P16473 1/20 0.60
SIRT1 Q96EB6 1/20 0.60
PREP P48147 2/20 0.52
DPP4 P27487 1/20 0.52
FAP Q12884 1/20 0.52
DPP8 Q6V1X1 1/20 0.52
DPP9 Q86TI2 1/20 0.52
THRB P10828 1/20 0.52
SMN1; SMN2 Q16637 2/20 0.51
RAB9A P51151 3/20 0.50
KMT2A Q03164 2/20 0.50
MEN1 O00255 1/20 0.48
HDAC1 Q13547 2/20 0.47
HDAC3 O15379 1/20 0.47
HDAC4 P56524 1/20 0.47
HDAC7 Q8WUI4 1/20 0.47
HDAC2 Q92769 1/20 0.47
HDAC10 Q969S8 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
SCHEMBL29676812 1.00 KDM4E (0.60) KDM4EALOX15TSHRSIRT1PREP
SCHEMBL23230044 0.85 KDM4E (0.55) KDM4EALOX15TSHRSIRT1PREP
SCHEMBL29676908 0.85 KDM4E (0.71) KDM4EALOX15TSHRSIRT1PREP
SCHEMBL311850 0.85 KDM4E (0.71) KDM4EALOX15TSHRSIRT1PREP
SCHEMBL3785757 0.84 KDM4E (0.75) KDM4EALOX15TSHRSIRT1SMN1; SMN2
SCHEMBL15233574 0.83 KDM4E (0.60) KDM4EALOX15TSHRSIRT1PREP
SCHEMBL25130172 0.83 KDM4E (0.60) KDM4EALOX15TSHRSIRT1PREP
SCHEMBL29676768 0.83 THRB (0.58) KDM4EALOX15TSHRSIRT1PREP
SCHEMBL7997184 0.83 KDM4E (0.68) KDM4EALOX15TSHRSIRT1DPP4
SCHEMBL11001425 0.83 KDM4E (0.52) KDM4EALOX15TSHRSIRT1PREP

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-1450796-B1 BENZOTHIAZOLE DERIVATIVES HOFFMANN LA ROCHE (CH) 2008-04-09 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