SCHEMBL6599337

SCHEMBL6599337

N[C@@H](Cc1ccccc1Oc1ncnc(Oc2ccccc2Cl)c1F)C(=O)O

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CXCL8 P10145 1/20 0.45
SLC1A5 Q15758 7/20 0.42
NOS3 P29474 2/20 0.40
NOS1 P29475 2/20 0.40
NOS2 P35228 2/20 0.40
TNF P01375 1/20 0.38
PPARA Q07869 1/20 0.38
TP53 P04637 1/20 0.38
HTT P42858 1/20 0.38
MAPK8 P45983 1/20 0.38
SLC6A2 P23975 1/20 0.38
SLC6A4 P31645 1/20 0.38
SLC6A3 Q01959 1/20 0.38
KDM4E B2RXH2 1/20 0.38
MEN1 O00255 1/20 0.38
LMNA P02545 1/20 0.38
MPO P05164 1/20 0.38
MAPT P10636 1/20 0.38
TSHR P16473 1/20 0.38
BLM P54132 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
SCHEMBL12825466 0.72 KMT2A (0.49) HTTSLC6A2SLC6A4SLC6A3MEN1
SCHEMBL22289540 0.72 NOS3 (0.48) NOS3NOS1NOS2TNFKDM4E
SCHEMBL3621544 0.72 PPARA (0.57) SLC1A5NOS3NOS1NOS2PPARA
SCHEMBL22289541 0.72 NOS3 (0.48) NOS3NOS1NOS2TNFKDM4E
Methyl Alcohol SCHEMBL28880032 0.72 NOS3 (0.56) SLC1A5NOS3NOS1NOS2PPARA
SCHEMBL298903 0.72 PKM (0.58) SLC1A5NOS3NOS1NOS2PPARA
SCHEMBL43976 0.72 PKM (0.58) SLC1A5NOS3NOS1NOS2PPARA
SCHEMBL35491891 0.72 PKM (0.58) SLC1A5NOS3NOS1NOS2PPARA
SCHEMBL29351556 0.72 PKM (0.58) SLC1A5NOS3NOS1NOS2PPARA
SCHEMBL43977 0.72 PKM (0.58) SLC1A5NOS3NOS1NOS2PPARA

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-1448532-A1 5-PHENYLPYRIMIDINES, AGENTS COMPRISING THE SAME, METHOD FOR PRODUCTION AND USE THEREOF BASF Aktiengesellschaft (DE) 2004-08-25 EP disclosed
WO-2003043993-A1 5-PHENYLPYRIMIDINES, AGENTS COMPRISING THE SAME, METHOD FOR PRODUCTION AND USE THEREOF BASF AKTIENGESELLSCHAFT (DE) 2003-05-30 WO disclosed