SCHEMBL1114935

SCHEMBL1114935

COC(=O)c1ncncc1Cl

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 2/20 0.43
CSNK2A1 P68400 1/20 0.42
ALDH1A1 P00352 6/20 0.37
MAPK1 P28482 3/20 0.37
ATM Q13315 1/20 0.37
S1PR4 O95977 1/20 0.37
L3MBTL1 Q9Y468 4/20 0.37
MRGPRX4 Q96LA9 1/20 0.36
KDM4E B2RXH2 4/20 0.35
PKM P14618 2/20 0.35
RCE1 Q9Y256 1/20 0.35
PDE4A P27815 1/20 0.35
PDE4B Q07343 1/20 0.35
PDE4C Q08493 1/20 0.35
PDE4D Q08499 1/20 0.35
GLA P06280 1/20 0.35
GAA P10253 1/20 0.35
POLB P06746 1/20 0.35
NPC1 O15118 1/20 0.35
TP53 P04637 1/20 0.35

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
SCHEMBL11528806 0.81 NPC1 (0.55) NPSR1ALDH1A1MAPK1L3MBTL1KDM4E
SCHEMBL30143994 0.79 NPSR1 (0.45) NPSR1CSNK2A1ALDH1A1MAPK1ATM
SCHEMBL13943352 0.79 NPSR1 (0.45) NPSR1CSNK2A1ALDH1A1MAPK1ATM
SCHEMBL1418065 0.78 PDE10A (0.39) NPSR1ALDH1A1L3MBTL1KDM4ENPC1
SCHEMBL630362 0.78 NPSR1 (0.43) NPSR1CSNK2A1ALDH1A1MAPK1ATM
SCHEMBL7456714 0.78 ALDH1A1 (0.50) NPSR1CSNK2A1ALDH1A1MAPK1ATM
SCHEMBL29574660 0.78 NPSR1 (0.43) NPSR1CSNK2A1ALDH1A1MAPK1ATM
SCHEMBL11527908 0.78 NPSR1 (0.43) NPSR1CSNK2A1ALDH1A1MAPK1ATM
SCHEMBL27957867 0.76 NPSR1 (0.42) NPSR1CSNK2A1ALDH1A1MAPK1ATM
SCHEMBL6645577 0.76 CDC25B (0.34) ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2279178-A1 2-(SUBSTITUTED PHENYL)-6-HYDROXY OR ALKOXY-5-SUBSTITUTED-4-PYRIMIDINECARBOXYLATES AND THEIR USE AS HERBICIDES Dow AgroSciences LLC (US) 2011-02-02 EP disclosed