SCHEMBL4016511

SCHEMBL4016511

Cc1ccnc(OC(F)(F)CF)c1C(=O)O

nearest known ligand 0.34

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 1/20 0.34
CNR2 P34972 1/20 0.34
KDM4E B2RXH2 1/20 0.31
ASPH Q12797 1/20 0.31
KDM8 Q8N371 1/20 0.31
AAK1 Q2M2I8 1/20 0.31
SSTR4 P31391 2/20 0.31
TACR1 P25103 1/20 0.31
DHODH Q02127 1/20 0.30
L3MBTL1 Q9Y468 2/20 0.30
ALDH1A1 P00352 1/20 0.30
GAA P10253 1/20 0.30
AGBL2 Q5U5Z8 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
SCHEMBL6778621 0.76 MAPK8 (0.41) CNR1CNR2KDM4EL3MBTL1ALDH1A1
SCHEMBL16041735 0.75 HCRTR2 (0.42) CNR1CNR2KDM4EL3MBTL1ALDH1A1
SCHEMBL12794738 0.75 POLB (0.43) CNR1CNR2KDM4EL3MBTL1ALDH1A1
SCHEMBL31214503 0.74 HCRTR1 (0.40) KDM4EDHODHL3MBTL1ALDH1A1
SCHEMBL1505151 0.72 GRM4 (0.40) CNR1CNR2KDM4E
SCHEMBL28368341 0.70 ALDH1A1 (0.50) L3MBTL1ALDH1A1GAA
SCHEMBL10699924 0.68 ALDH1A1 (0.45) L3MBTL1ALDH1A1
SCHEMBL17611245 0.68 NAPRT (0.46) CNR1CNR2KDM4EASPHKDM8
SCHEMBL14991796 0.67 TACR1 (0.37) KDM4EASPHKDM8TACR1L3MBTL1
SCHEMBL26598055 0.67 L3MBTL1 (0.34) KDM4EASPHKDM8L3MBTL1ALDH1A1

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-2044050-A1 NEW PYRIDINE ANALOGUES Astra Zeneca AB (SE) 2009-04-08 EP disclosed
WO-2008004946-A1 NEW PYRIDINE ANALOGUES ASTRAZENECA AB (SE) 2008-01-10 WO disclosed