SCHEMBL6537307

SCHEMBL6537307

Oc1c(Cl)cc(Br)c2ccccc12

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EP300 Q09472 1/20 0.46
HTT P42858 6/20 0.44
MEN1 O00255 5/20 0.44
KMT2A Q03164 5/20 0.44
MAPT P10636 5/20 0.44
ALDH1A1 P00352 5/20 0.44
KDM4E B2RXH2 4/20 0.44
HSD17B10 Q99714 2/20 0.44
PKM P14618 2/20 0.44
HPGD P15428 1/20 0.44
RCE1 Q9Y256 1/20 0.42
HSP90AA1 P07900 3/20 0.40
SMN1; SMN2 Q16637 3/20 0.40
LMNA P02545 3/20 0.40
TP53 P04637 2/20 0.40
TDP1 Q9NUW8 2/20 0.40
CYP3A4 P08684 2/20 0.40
ALOX15B O15296 1/20 0.40
NR1I2 O75469 1/20 0.40
HTR1A P08908 1/20 0.40

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
SCHEMBL23087330 0.83 HTT (0.53) EP300HTTMEN1KMT2AMAPT
SCHEMBL29735057 0.83 HTT (0.53) EP300HTTMEN1KMT2AMAPT
SCHEMBL585863 0.79 HTT (0.53) HTTMEN1KMT2AMAPTALDH1A1
SCHEMBL553501 0.79 ALDH1A1 (0.59) EP300HTTMEN1KMT2AMAPT
SCHEMBL11797439 0.77 CYP2A6 (0.43) HTTMEN1KMT2AMAPTALDH1A1
SCHEMBL588770 0.77 HTT (0.56) EP300HTTMEN1KMT2AMAPT
SCHEMBL30499578 0.77 HTT (0.56) EP300HTTMEN1KMT2AMAPT
SCHEMBL29904657 0.77 HTT (0.56) EP300HTTMEN1KMT2AMAPT
SCHEMBL17870917 0.77 HTT (0.45) HTTMEN1KMT2AMAPTALDH1A1
SCHEMBL11153750 0.74 HTT (0.52) EP300HTTMEN1KMT2AMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1745198-A Method of preparing brominated hydroxy aromatic compounds GEN ELECTRIC (US) 2006-03-08 CN claimed
US-6827836-B2 With high para selectivity; hydrogen bromide not generated as a by-product; GENERAL ELECTRIC COMPANY 2004-12-07 US claimed
WO-2004050954-A1 METHOD OF PREPARING BROMINATED HYDROXY AROMATIC COMPOUNDS GENERAL ELECTRIC COMPANY (US) 2004-06-17 WO claimed
US-20040104126-A1 Method of preparing brominated hydroxy aromatic compounds GENERAL ELECTRIC COMPANY 2004-06-03 US claimed
CN-1745198-A Method of preparing brominated hydroxy aromatic compounds GEN ELECTRIC (US) 2006-03-08 CN disclosed
US-6827836-B2 With high para selectivity; hydrogen bromide not generated as a by-product; GENERAL ELECTRIC COMPANY 2004-12-07 US disclosed
WO-2004050954-A1 METHOD OF PREPARING BROMINATED HYDROXY AROMATIC COMPOUNDS GENERAL ELECTRIC COMPANY (US) 2004-06-17 WO disclosed
US-20040104126-A1 Method of preparing brominated hydroxy aromatic compounds GENERAL ELECTRIC COMPANY 2004-06-03 US disclosed
US-4195180-A Sulfam (na) phthaleins POLAROID CORPORATION (US) 1980-03-25 US disclosed
US-4178447-A Novel synthesis of 3,3-substituted dihydrobenzisothiazole-1,1-dioxides and -2,3-dihydronaphtho-1,2-thiazine-1,1-dioxides POLAROID CORPORATION (US) 1979-12-11 US disclosed
US-4061642-A AZO DYE INTERMEDIATES CASSELLA FARBWERKE MAINKUR AG (DT) 1977-12-06 US disclosed
US-3980659-A INSECTICIDES, INTERMEDIATES FOR AZO DYES CASSELLA FARBWERKE MAINKUR AKTIENGESELLSCHAFT (DT) 1976-09-14 US disclosed
US-3956294-A AZO DYES, PESTICIDES, ANALEPTICS, ANALGESICS, DIURETICS CASSELLA FARBWERKE MAINKUR AKTIENGESELLSCHAFT (DT) 1976-05-11 US disclosed
US-3954782-A 2,6-Hydrazino-3-pyridine carboxyamides CASSELLA FARBWERKE MAINKUR AKTIENGESELLSCHAFT (DT) 1976-05-04 US disclosed
US-3947463-A Certain 2-amino-nicotinonitrile derivatives CASSELLA FARBWERKE MAINKUR AG (DT) 1976-03-30 US disclosed
US-3946024-A INTERMEDIATES FOR AZO DYES CASSELLA FARBWERKE MAINKUR AG (DT) 1976-03-23 US disclosed