SCHEMBL8524113

SCHEMBL8524113

CCOC(=O)c1noc(C2CC2)c1C(=O)c1ccc(-n2cncn2)c(OC)c1C

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE4D Q08499 3/20 0.35
GABRG2 P18507 3/20 0.34
GABRB3 P28472 3/20 0.34
GABRA5 P31644 3/20 0.34
HSP90AA1 P07900 2/20 0.34
MAPT P10636 1/20 0.34
HTT P42858 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
HCRTR2 O43614 3/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
CYP1A2 P05177 1/20 0.33
CYP3A4 P08684 1/20 0.33
CYP2C9 P11712 1/20 0.33
CYP2C19 P33261 1/20 0.33
GRM7 Q14831 1/20 0.33
TUBB4A P04350 1/20 0.32
TUBB P07437 1/20 0.32
TUBA3C P0DPH7 1/20 0.32
TUBA1B P68363 1/20 0.32
TUBA4A P68366 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
SCHEMBL8524106 0.90 L3MBTL1 (0.33) PDE4DGABRG2GABRB3GABRA5HSP90AA1
SCHEMBL8525103 0.90 GABRG2 (0.35) PDE4DGABRG2GABRB3GABRA5HSP90AA1
SCHEMBL8524136 0.89 GABRG2 (0.34) PDE4DGABRG2GABRB3GABRA5HSP90AA1
SCHEMBL8524397 0.89 CYP1A2 (0.35) PDE4DGABRG2GABRB3GABRA5HSP90AA1
SCHEMBL8491729 0.87 L3MBTL1 (0.35) PDE4DGABRG2GABRB3GABRA5HSP90AA1
SCHEMBL8490765 0.86 L3MBTL1 (0.35) PDE4DGABRG2GABRB3GABRA5HSP90AA1
SCHEMBL8490604 0.86 GABRG2 (0.36) PDE4DGABRG2GABRB3GABRA5HSP90AA1
SCHEMBL8523938 0.85 HCRTR2 (0.41) GABRG2GABRB3GABRA5HSP90AA1MAPT
SCHEMBL8525222 0.85 HCRTR2 (0.36) HSP90AA1MAPTHTTHCRTR2HCRTR1
SCHEMBL8492298 0.84 L3MBTL1 (0.34) PDE4DGABRG2GABRB3GABRA5HSP90AA1

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