SCHEMBL8524449

SCHEMBL8524449

C[S+]([O-])c1cc(-n2cncn2)ccc1C(=O)c1cnoc1C1CC1

nearest known ligand 0.39

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PDE2A O00408 1/20 0.39
F9 P00740 3/20 0.34
SYK P43405 1/20 0.34
EPHX2 P34913 2/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
PCSK9 Q8NBP7 1/20 0.33
SMYD3 Q9H7B4 1/20 0.33
SMN1; SMN2 Q16637 2/20 0.33
KDM4E B2RXH2 1/20 0.33
ALDH1A1 P00352 1/20 0.33
NAMPT P43490 1/20 0.32
GPR119 Q8TDV5 1/20 0.32
HSP90AA1 P07900 1/20 0.32
MAPT P10636 1/20 0.32
HTT P42858 1/20 0.32

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
SCHEMBL8491301 0.85 F9 (0.42) PDE2AF9SYKMEN1KMT2A
SCHEMBL8524146 0.83 DHODH (0.38) PDE2AF9SYKEPHX2SMYD3
SCHEMBL8492423 0.82 PDE2A (0.38) PDE2AF9SYKEPHX2MEN1
SCHEMBL8524536 0.82 PDE2A (0.38) PDE2AF9SYKMEN1KMT2A
SCHEMBL9114961 0.78 DHODH (0.37) PDE2AEPHX2MEN1KMT2ASMN1; SMN2
SCHEMBL7627829 0.78 DHODH (0.34) PDE2AEPHX2SMN1; SMN2ALDH1A1NAMPT
SCHEMBL9115225 0.78 DHODH (0.34) PDE2AEPHX2NAMPT
SCHEMBL8493685 0.77 DHODH (0.36) PDE2AEPHX2SMN1; SMN2NAMPT
SCHEMBL8491851 0.77 DHODH (0.47) PDE2AEPHX2MEN1KMT2ASMN1; SMN2
SCHEMBL1822437 0.76 PDE2A (0.43) PDE2ASYKEPHX2SMN1; SMN2KDM4E

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
WO-1999003856-A1 4-BENZOYL-ISOXAZOLE- AND -PYRAZOLE DERIVATIVES AND 2-CYANO 1,3-DIONE DERIVATIVES AS HERBICIDES RHONE-POULENC AGRICULTURE LIMITED (GB) 1999-01-28 WO disclosed