SCHEMBL11213673

SCHEMBL11213673

CC1(C)CC(=O)C(c2c(Br)cc(Br)cc2[N+](=O)[O-])C(=O)C1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 11/20 0.43
MAPT P10636 9/20 0.43
KMT2A Q03164 9/20 0.43
MEN1 O00255 5/20 0.43
GAA P10253 3/20 0.43
KDM4E B2RXH2 3/20 0.43
PKM P14618 2/20 0.43
POLB P06746 1/20 0.41
RECQL P46063 1/20 0.41
MCL1 Q07820 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.39
CYP3A4 P08684 1/20 0.36
HTT P42858 3/20 0.36
S100A4 P26447 1/20 0.34
TRPV1 Q8NER1 1/20 0.34
LMNA P02545 3/20 0.34
CRHBP P24387 1/20 0.33
CRHR2 Q13324 1/20 0.33
ERN1 O75460 1/20 0.33

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
SCHEMBL11226692 0.74 ALDH1A1 (0.42) ALDH1A1MAPTKMT2AMEN1GAA
SCHEMBL10910875 0.71 ALDH1A1 (0.47) ALDH1A1MAPTKMT2AMEN1GAA
SCHEMBL11230657 0.69 MAPT (0.45) ALDH1A1MAPTKMT2AMEN1GAA
SCHEMBL8786191 0.69 HSP90AA1 (0.38) ALDH1A1MAPTKMT2AMEN1KDM4E
SCHEMBL11218963 0.68 MAPT (0.46) ALDH1A1MAPTKMT2AMEN1GAA
SCHEMBL11207933 0.67 MAPT (0.43) ALDH1A1MAPTKMT2AMEN1GAA
SCHEMBL29706644 0.66 ALDH1A1 (0.68) ALDH1A1MAPTKMT2AMEN1KDM4E
SCHEMBL2783704 0.66 ALDH1A1 (0.68) ALDH1A1MAPTKMT2AMEN1KDM4E
SCHEMBL11213411 0.66 ALDH1A1 (0.40) ALDH1A1MAPTKMT2AMEN1GAA
SCHEMBL629542 0.65 CYP1A2 (0.55) ALDH1A1RECQLSMN1; SMN2CYP3A4S100A4

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 9 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0007243-B1 2-ARYL-1,3-CYCLOHEXANEDIONE COMPOUNDS AND ALKALI METAL SALTS, AMMONIUM SALTS AND ENOL ESTERS THEREOF, COMPOSITION AND METHOD OF CONTROLLING ACARINA ECTOPARASITES ON WARMBLOODED ANIMALS UNION CARBIDE CORPORATION (US) 1982-11-17 EP disclosed
US-4351666-A PRETREATMENT BEFORE HARVESTING UNION CARBIDE CORPORATION (US) 1982-09-28 US disclosed
US-4257858-A REACTING A CYCLOHEXA-1,3-DIONE-2-DIAZIDE WITH AN ARYL COMPOUND UNION CARBIDE CORPORATION (US) 1981-03-24 US disclosed
US-4256657-A CYCLIZATION, ACID CATALYST UNION CARBIDE CORPORATION (US) 1981-03-17 US disclosed
US-4256658-A CYCLIZATION, BASIC CATALYST UNION CARBIDE CORPORATION (US) 1981-03-17 US disclosed
US-4256659-A Method of preparing 2-aryl-1,3-cyclohexanedione compounds UNION CARBIDE CORPORATION (US) 1981-03-17 US disclosed
US-4209532-A Biocidal 2-aryl-1,3-cyclohexane dione compounds and alkali metal and ammonium salts thereof UNION CARBIDE CORPORATION (US) 1980-06-24 US disclosed
EP-0007243-A1 2-Aryl-1,3-cyclohexanedione compounds and alkali metal salts, ammonium salts and enol esters thereof, composition and method of controlling acarina ectoparasites on warmblooded animals UNION CARBIDE CORPORATION (US) 1980-01-23 EP disclosed
US-4175135-A Method of controlling acarina ectoparasites on warmblooded animals by orally administering to the animal an ectoparasitically effective amount of a 2-aryl-1,3-cyclohexanedione compound, and alkali metal salts, ammonium salts and enol esters thereof UNION CARBIDE CORPORATION (US) 1979-11-20 US disclosed