SCHEMBL8948488

SCHEMBL8948488

Nc1cccc2c1OC1(CC1)C2=O

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 2/20 0.38
ADORA2A P29274 2/20 0.35
PTPRC P08575 1/20 0.35
POLB P06746 2/20 0.33
ALDH1A1 P00352 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
GRK6 P43250 1/20 0.32
MEN1 O00255 1/20 0.32
RGS12 O14924 1/20 0.32
USP2 O75604 1/20 0.32
CYP1A2 P05177 1/20 0.32
CYP3A4 P08684 1/20 0.32
MAPT P10636 1/20 0.32
THRB P10828 1/20 0.32
CYP2C9 P11712 1/20 0.32
APEX1 P27695 1/20 0.32
CASP1 P29466 1/20 0.32
BRCA1 P38398 1/20 0.32
MTOR P42345 1/20 0.32
RECQL P46063 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
SCHEMBL8948586 0.76 TYMS (0.40) PARP1ADORA2APTPRCPOLBALDH1A1
SCHEMBL11381582 0.75 ALDH1A1 (0.44) POLBALDH1A1L3MBTL1MEN1CYP1A2
SCHEMBL11159842 0.75 RAB9A (0.40) POLBALDH1A1L3MBTL1MEN1USP2
SCHEMBL8948740 0.73 CA1 (0.49) PTPRCPOLBALDH1A1CYP1A2CYP3A4
SCHEMBL10928680 0.73 KDM4E (0.37) PARP1POLBALDH1A1L3MBTL1MEN1
Hydrochloric Acid SCHEMBL11160479 0.72
SCHEMBL11089110 0.72 PARP1 (0.33) PARP1ALDH1A1MEN1CYP1A2CYP3A4
SCHEMBL11158055 0.72 MAPT (0.45) POLBALDH1A1L3MBTL1MEN1USP2
SCHEMBL11155587 0.71 DDB1 (0.37) ALDH1A1L3MBTL1MEN1CYP1A2CYP3A4
SCHEMBL11154239 0.69 ALDH1A1 (0.46) ALDH1A1L3MBTL1MAPTCASP1RECQL

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 7 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
EP-0018830-B1 SPIROBENZOFURANONES, THEIR PRODUCTION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM Takeda Chemical Industries, Ltd. (JP) 1983-06-08 EP disclosed
EP-0003084-B1 SPIROBENZOFURANONE COMPOUNDS, PROCESSES FOR THEIR PREPARATION AND THEIR USE AS MEDICINES Takeda Chemical Industries, Ltd. (JP) 1982-02-24 EP disclosed
US-4284644-A Spirobenzofuranone compounds TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1981-08-18 US disclosed
EP-0018830-A2 Spirobenzofuranones, their production and pharmaceutical compositions containing them Takeda Chemical Industries, Ltd. (JP) 1980-11-12 EP disclosed
EP-0003084-A1 Spirobenzofuranone compounds, processes for their preparation and their use as medicines Takeda Chemical Industries, Ltd. (JP) 1979-07-25 EP disclosed