SCHEMBL8948724

SCHEMBL8948724

Nc1cccc2c1OCC2=O

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 2/20 0.59
PSMB5 P28074 1/20 0.47
ADORA2A P29274 2/20 0.38
PTPRC P08575 1/20 0.38
MAOA P21397 2/20 0.36
MAOB P27338 1/20 0.36
ALDH1A1 P00352 3/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
MAPT P10636 2/20 0.35
KDM4E B2RXH2 2/20 0.35
HSD17B10 Q99714 2/20 0.35
LMNA P02545 1/20 0.35
GAA P10253 1/20 0.35
TYMS P04818 1/20 0.35
CYP1A2 P05177 1/20 0.35
HPGD P15428 1/20 0.35
CYP2C19 P33261 1/20 0.35
CASP1 P29466 1/20 0.34
CASP7 P55210 1/20 0.34
MRGPRX4 Q96LA9 1/20 0.34

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
SCHEMBL3993011 0.81 LMNA (0.44) PARP1ADORA2APTPRCMAOAMAOB
SCHEMBL5534959 0.78 PARP1 (0.56) PARP1PSMB5MAOAMAOBALDH1A1
SCHEMBL18331030 0.76 PARP1 (0.54) PARP1PSMB5MAOAMAOBALDH1A1
SCHEMBL5534964 0.76 PSMB5 (0.61) PARP1PSMB5MAOAMAOBALDH1A1
SCHEMBL30067828 0.76 PARP1 (0.54) PARP1PSMB5MAOAMAOBALDH1A1
SCHEMBL1707759 0.76 PARP1 (0.54) PARP1PSMB5MAOAMAOBALDH1A1
SCHEMBL12178135 0.76 PARP1 (0.54) PARP1PSMB5MAOAMAOBALDH1A1
SCHEMBL3976344 0.76 PARP1 (0.54) PARP1PSMB5MAOAMAOBALDH1A1
SCHEMBL30779660 0.76 PARP1 (0.54) PARP1PSMB5MAOAMAOBALDH1A1
SCHEMBL19278957 0.74 PARP1 (1.00) PARP1PSMB5ALDH1A1MAPTKDM4E

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
US-5521147-A HERBICIDES FMC CORPORATION (US) 1996-05-28 US disclosed
WO-1995005079-A1 3-(BENZOFURAN-7-YL)-6-HALOALKYLURACILS FMC CORPORATION (US) 1995-02-23 WO disclosed