SCHEMBL8948801

SCHEMBL8948801

O=[N+]([O-])c1cccc2c1OCC2

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 1/20 0.49
ALDH1A1 P00352 2/20 0.45
HSD17B10 Q99714 2/20 0.45
CYP3A4 P08684 1/20 0.45
ALOX15 P16050 1/20 0.45
TDP1 Q9NUW8 2/20 0.44
ACHE P22303 1/20 0.42
GPR35 Q9HC97 2/20 0.42
TSHR P16473 2/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
MAPT P10636 2/20 0.39
ERN1 O75460 1/20 0.39
S100A4 P26447 1/20 0.38
TXNRD1 Q16881 1/20 0.38
TXNRD3 Q86VQ6 1/20 0.38
TXNRD2 Q9NNW7 1/20 0.38
POLB P06746 1/20 0.38
RECQL P46063 1/20 0.38
KMT2A Q03164 1/20 0.38
MCL1 Q07820 1/20 0.38

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
SCHEMBL10659420 0.90 ALDH1A1 (0.42) PARP1ALDH1A1HSD17B10CYP3A4ALOX15
SCHEMBL2247062 0.78 MAPT (0.49) ALDH1A1HSD17B10CYP3A4TDP1ACHE
SCHEMBL2962443 0.76 MAPT (0.47) ALDH1A1TDP1GPR35TSHRSMN1; SMN2
SCHEMBL2061341 0.75 TDP1 (0.40) ALDH1A1HSD17B10CYP3A4ALOX15TDP1
SCHEMBL10580640 0.74 ALDH1A1 (0.41) ALDH1A1HSD17B10CYP3A4ALOX15TDP1
SCHEMBL17802004 0.74 KMT2A (0.41) MAPTKMT2A
SCHEMBL34462932 0.73 RXRA (0.47) PARP1ALDH1A1SMN1; SMN2MAPT
SCHEMBL7298106 0.72 TDP1 (0.41) ALDH1A1HSD17B10TDP1ACHEGPR35
SCHEMBL6634968 0.72 PARP1 (0.51) PARP1ALDH1A1CYP3A4TDP1MAPT
SCHEMBL4096904 0.72 MAPK1 (0.37) PARP1ALDH1A1TSHRSMN1; SMN2MAPT

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 14 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-0079683-B1 HERBICIDAL SULFONAMIDES E.I. DU PONT DE NEMOURS AND COMPANY (US) 1987-05-06 EP disclosed
US-4593109-A Miticidal 1-(2-alkyl-2,3-dihydrobenzofuran-7-yl)-4-alkoxy-4-alkylsemicarbazides SHELL OIL COMPANY (US) 1986-06-03 US disclosed
US-4587259-A Miticidal 2-(2-methyl-2,3-dihydro-benzofuran-7-yl)hydrazinecarboxylic acid esters SHELL OIL COMPANY (US) 1986-05-06 US disclosed
US-4577011-A Miticidal 2-(2-alkyl-2,3-dihydrobenzofuran-7-yl)-N-alkoxy-N-alkyl-diazenecarboxamides SHELL OIL COMPANY (US) 1986-03-18 US disclosed
US-4554283-A Aphicidal 3-(2-alkyl-2,3-dihydrobenzofuran-7-yl)-5-(R,R1 -amino)-1,3,4-oxadiazol-2(3H)-ones SHELL OIL COMPANY (US) 1985-11-19 US disclosed
US-4550121-A AGRICULTURE SHELL OIL COMPANY (US) 1985-10-29 US disclosed
US-4514211-A HERBICIDES, PLANT GROWTH REGULATORS E. I. DU PONT DE NEMOURS AND COMPANY (US) 1985-04-30 US disclosed
EP-0048040-B1 7-SUBSTITUTED 2,3-DIHYDROBENZOFURANS, THEIR PREPARATION AND THEIR USE AS PESTICIDES OR AS CHEMICAL INTERMEDIATES SHELL INTERNATIONALE RESEARCHMAATSCHAPPIJ B.V. (NL) 1984-08-29 EP disclosed
EP-0079683-A2 Herbicidal sulfonamides E.I. DU PONT DE NEMOURS AND COMPANY (US) 1983-05-25 EP disclosed
EP-0048040-A1 7-Substituted 2,3-dihydrobenzofurans, their preparation and their use as pesticides or as chemical intermediates SHELL INTERNATIONALE RESEARCHMAATSCHAPPIJ B.V. (NL) 1982-03-24 EP disclosed
US-4302592-A Pesticidal 3-(2,3-dihydrobenzofuran-7-yl)-5-methoxy-1,3,4-oxadiazol-2(3H)-one SHELL OIL COMPANY (US) 1981-11-24 US disclosed
US-3963717-A ANTIINFLAMMATORY, ANALGESIC SANDOZ, INC. (US) 1976-06-15 US disclosed