SCHEMBL11230657

SCHEMBL11230657

CC1(C)CC(=O)C(c2c(Cl)cccc2[N+](=O)[O-])C(=O)C1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
ALDH1A1 P00352 10/20 0.40
KMT2A Q03164 7/20 0.40
MEN1 O00255 5/20 0.40
KDM4E B2RXH2 4/20 0.40
GAA P10253 3/20 0.40
PKM P14618 2/20 0.40
HPGD P15428 2/20 0.39
POLB P06746 1/20 0.38
RECQL P46063 1/20 0.38
MCL1 Q07820 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
CYP1A2 P05177 2/20 0.38
CYP2C9 P11712 2/20 0.38
CYP2C19 P33261 2/20 0.38
TDP1 Q9NUW8 3/20 0.38
MAPK1 P28482 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
LMNA P02545 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
SCHEMBL10912288 0.83 MEN1 (0.44) MAPTSMN1; SMN2ALDH1A1KMT2AMEN1
SCHEMBL11219274 0.83 HTR1A (0.38) MAPTALDH1A1KMT2AMEN1GAA
SCHEMBL11226368 0.81 ALDH1A1 (0.41) MAPTALDH1A1KMT2AMEN1KDM4E
SCHEMBL11496954 0.80 MAPT (0.40) MAPTSMN1; SMN2ALDH1A1KMT2AMEN1
SCHEMBL11226692 0.80 ALDH1A1 (0.42) MAPTSMN1; SMN2ALDH1A1KMT2AMEN1
SCHEMBL10910875 0.77 ALDH1A1 (0.47) MAPTSMN1; SMN2ALDH1A1KMT2AMEN1
SCHEMBL11218963 0.73 MAPT (0.46) MAPTSMN1; SMN2ALDH1A1KMT2AMEN1
SCHEMBL27168536 0.72 HPGD (0.45) MAPTSMN1; SMN2ALDH1A1KMT2AMEN1
SCHEMBL11213673 0.69 ALDH1A1 (0.43) MAPTSMN1; SMN2ALDH1A1KMT2AMEN1
SCHEMBL11215288 0.69 HTT (0.41) MAPTSMN1; SMN2ALDH1A1KMT2AMEN1

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 8 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-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