SCHEMBL2963825

SCHEMBL2963825

CC1(C)Cc2cccc([N+](=O)[O-])c2O1

nearest known ligand 0.50

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.50
KMT2A Q03164 1/20 0.50
LMNA P02545 4/20 0.46
ALDH1A1 P00352 5/20 0.45
SMN1; SMN2 Q16637 2/20 0.45
TDP1 Q9NUW8 2/20 0.43
PKM P14618 2/20 0.42
NPSR1 Q6W5P4 1/20 0.42
KDM4E B2RXH2 1/20 0.40
TSHR P16473 2/20 0.40
ACHE P22303 1/20 0.40
GPR35 Q9HC97 1/20 0.39
MAPT P10636 1/20 0.39
NPC1 O15118 1/20 0.39
RAB9A P51151 1/20 0.39

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
SCHEMBL1307375 0.79 ALDH1A1 (0.57) MEN1KMT2ALMNAALDH1A1SMN1; SMN2
SCHEMBL10994843 0.78 MEN1 (0.41) MEN1KMT2ALMNAALDH1A1SMN1; SMN2
SCHEMBL10580482 0.77 ALDH1A1 (0.40) MEN1KMT2ALMNAALDH1A1SMN1; SMN2
SCHEMBL27456621 0.76 ACHE (0.39) MEN1KMT2AALDH1A1SMN1; SMN2TDP1
SCHEMBL7298186 0.75 MAPT (0.42) MEN1KMT2ALMNAALDH1A1SMN1; SMN2
SCHEMBL8733963 0.75 TDP1 (0.41) MEN1KMT2ALMNAALDH1A1SMN1; SMN2
SCHEMBL21634428 0.75 MEN1 (0.39) MEN1KMT2ALMNAALDH1A1SMN1; SMN2
SCHEMBL5961698 0.74 LMNA (0.51) MEN1KMT2ALMNAALDH1A1PKM
SCHEMBL8122140 0.74 LMNA (0.48) MEN1KMT2ALMNAALDH1A1PKM
SCHEMBL10963329 0.73 ALDH1A1 (0.47) MEN1KMT2ALMNAALDH1A1SMN1; SMN2

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 26 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7572757-B1 Method of treating a well with a gel stabilizer BJ SERVICES COMPANY (US) 2009-08-11 US claimed
US-7767630-B2 Method of treating a well with a gel stabilizer BJ SERVICES COMPANY LLC (US) 2010-08-03 US disclosed
US-20100016182-A1 METHOD OF TREATING A WELL WITH A GEL STABILIZER BAKER HUGHES HOLDINGS LLC 2010-01-21 US disclosed
US-7572757-B1 Method of treating a well with a gel stabilizer BJ SERVICES COMPANY (US) 2009-08-11 US disclosed
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-4647677-A Process for preparing 2,3-dihydro-7-aminobenzofurans MITSUBISHI CHEMICAL INDUSTRIES LIMITED (JP) 1987-03-03 US disclosed
US-4594438-A Dehydrohalogenation heating of 2,2,6-tri-halo-6-(1-halisobutyl)cyclohexanone MITSUBISHI CHEMICAL INDUSTRIES, LTD. (JP) 1986-06-10 US disclosed
EP-0090976-B1 2,2-DIHALO-6-HALO-6(1-HALOISOBUTYL)CYCLOHEXANONE MITSUBISHI KASEI CORPORATION (JP) 1985-12-11 EP disclosed
US-4419350-A REGENERATION, MONO-OR DITHIOPHOSPHATE STAUFFER CHEMICAL COMPANY (US) 1983-12-06 US disclosed
EP-0090976-A2 2,2-Dihalo-6-halo-6(1-haloisobutyl)cyclohexanone MITSUBISHI KASEI CORPORATION (JP) 1983-10-12 EP disclosed
US-4406910-A INSECTICIDES, MITICIDES SHELL OIL COMPANY (US) 1983-09-27 US disclosed
EP-0079683-A2 Herbicidal sulfonamides E.I. DU PONT DE NEMOURS AND COMPANY (US) 1983-05-25 EP disclosed
EP-0071487-A2 Improved process for the preparation of carbofuran and novel intermediate UNION CARBIDE CORPORATION (US) 1983-02-09 EP disclosed
EP-0001486-B1 PROCESS FOR PREPARING 2,3-DIHYDRO-2,2-DIMETHYL-7-BENZOFURANOL AND BENZODIOXOLE INTERMEDIATE THEREFOR FMC Corporation (US) 1982-05-05 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
EP-0001486-A2 Process for preparing 2,3-dihydro-2,2-dimethyl-7-benzofuranol and benzodioxole intermediate therefor FMC Corporation (US) 1979-04-18 EP disclosed
US-4118400-A THERMAL REARRANGEMENT OF 2-ISOPROPYL-1.3-BENZODIOXOLE, ACID CATALYST FMC CORPORATION (US) 1978-10-03 US disclosed
US-4032649-A 2,3-Dihydro-2,2-dimethyl-7-benzo[b]thienyl N-methylcarbamate and use as an insecticide GULF OIL CORPORATION (US) 1977-06-28 US disclosed