SCHEMBL8948740

SCHEMBL8948740

O=C1c2cccc([N+](=O)[O-])c2OC12CC2

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA1 P00915 1/20 0.49
CA2 P00918 1/20 0.49
CA7 P43166 1/20 0.49
CA9 Q16790 1/20 0.49
S100A4 P26447 2/20 0.45
MAPT P10636 1/20 0.44
RECQL P46063 1/20 0.44
KMT2A Q03164 1/20 0.44
MCL1 Q07820 1/20 0.44
RXFP1 Q9HBX9 1/20 0.44
PTPRC P08575 1/20 0.41
TDP1 Q9NUW8 3/20 0.39
CRBN Q96SW2 1/20 0.39
ALDH1A1 P00352 2/20 0.39
POLB P06746 1/20 0.38
GPR35 Q9HC97 1/20 0.38
DNMT3B Q9UBC3 4/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
TP53 P04637 1/20 0.36
CYP1A2 P05177 1/20 0.36

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
SCHEMBL8948584 0.79 CA1 (0.50) CA1CA2CA7CA9S100A4
SCHEMBL11149469 0.77 TDP1 (0.38) CA1CA2CA7CA9S100A4
SCHEMBL18089743 0.73 CA1 (0.46) CA1CA2CA7CA9S100A4
SCHEMBL31217611 0.73 CA1 (0.46) CA1CA2CA7CA9S100A4
SCHEMBL21460994 0.73 CA1 (0.40) CA1CA2CA7CA9S100A4
SCHEMBL21461165 0.71 CA1 (0.39) CA1CA2CA7CA9S100A4
SCHEMBL11381582 0.70 ALDH1A1 (0.44) CA2MAPTRECQLKMT2ATDP1
SCHEMBL21461159 0.70 CA1 (0.38) CA1CA2CA7CA9S100A4
SCHEMBL8948571 0.69 MAPT (0.51) CA1CA2CA7CA9S100A4
SCHEMBL8948523 0.69 CA1 (0.42) CA1CA2CA7CA9S100A4

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 6 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