SCHEMBL6537018

SCHEMBL6537018

Cc1cc(Br)c2ccccc2c1O

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 4/20 0.63
LMNA P02545 1/20 0.63
PKM P14618 1/20 0.59
RCE1 Q9Y256 1/20 0.42
ALDH1A1 P00352 2/20 0.41
MEN1 O00255 3/20 0.41
KMT2A Q03164 3/20 0.41
MAPT P10636 3/20 0.41
NPC1 O15118 1/20 0.41
MAPK1 P28482 1/20 0.41
RAB9A P51151 1/20 0.41
CTDSP1 Q9GZU7 1/20 0.41
HSP90AA1 P07900 2/20 0.40
KDM4E B2RXH2 2/20 0.40
USP2 O75604 1/20 0.40
TP53 P04637 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
PTGS1 P23219 2/20 0.39
PTGS2 P35354 2/20 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
SCHEMBL11156584 0.83 HTT (0.52) HTTLMNAPKMALDH1A1MEN1
SCHEMBL585863 0.79 HTT (0.53) HTTLMNAPKMRCE1ALDH1A1
SCHEMBL4630376 0.79 HTT (0.71) HTTLMNAPKMALDH1A1MEN1
SCHEMBL10579123 0.79 HTT (0.71) HTTLMNAPKMALDH1A1MEN1
SCHEMBL14922180 0.78 HTT (0.47) HTTLMNAPKMRCE1ALDH1A1
SCHEMBL6700939 0.77 ALDH1A1 (0.44) HTTLMNAPKMALDH1A1MEN1
SCHEMBL622455 0.77 ALDH1A1 (0.44) HTTLMNAPKMALDH1A1MEN1
SCHEMBL7531782 0.77 ALDH1A1 (0.44) HTTLMNAPKMALDH1A1MEN1
SCHEMBL17870917 0.77 HTT (0.45) HTTLMNAPKMRCE1ALDH1A1
Vitamin K3H2 SCHEMBL297164 0.77 HTT (1.00) HTTLMNAPKMALDH1A1MEN1

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
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
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
EP-0026872-B1 PLANT GROWTH REGULATING PRODUCTS CONTAINING SUBSTITUTED ALKYLAMMONIUM SALTS AND THEIR USE BASF Aktiengesellschaft (DE) 1983-03-09 EP disclosed
US-4327214-A Substituted alkylammonium salts, the manufacture thereof, the use thereof for regulating plant growth, and agents therefor BASF AKTIENGESELLSCHAFT (DE) 1982-04-27 US disclosed
EP-0026872-A1 Plant growth regulating products containing substituted alkylammonium salts and their use BASF Aktiengesellschaft (DE) 1981-04-15 EP disclosed