SCHEMBL11572303

SCHEMBL11572303

COC(=O)c1c(Br)c(Br)c(Br)c(Br)c1C(=O)OC.NCCCN

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.37
ALDH1A1 P00352 2/20 0.37
HSD17B10 Q99714 2/20 0.37
HPGD P15428 1/20 0.37
CA12 O43570 1/20 0.36
CA1 P00915 1/20 0.36
CA2 P00918 1/20 0.36
CA7 P43166 1/20 0.36
CA9 Q16790 1/20 0.36
CA14 Q9ULX7 1/20 0.36
PTPN1 P18031 1/20 0.36
LOXL2 Q9Y4K0 2/20 0.36
F2 P00734 1/20 0.35
PRSS1 P07477 1/20 0.35
PRSS2 P07478 1/20 0.35
PRSS3 P35030 1/20 0.35
PRKCZ Q05513 1/20 0.34
KMT2A Q03164 2/20 0.34
MEN1 O00255 1/20 0.34
MAPT P10636 2/20 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
SCHEMBL11290085 0.94 PAOX (0.38) KDM4EALDH1A1HSD17B10HPGDCA12
Ethylenediamine SCHEMBL11289433 0.92 CA12 (0.39) KDM4EALDH1A1HSD17B10HPGDCA12
SCHEMBL31306912 0.85 CA12 (0.46) KDM4EALDH1A1HSD17B10HPGDCA12
SCHEMBL5698060 0.85 CA12 (0.46) KDM4EALDH1A1HSD17B10HPGDCA12
SCHEMBL11569953 0.81 ALDH1A1 (0.37) KDM4EALDH1A1HPGDCA12CA1
SCHEMBL8380519 0.78 CA1 (0.48) KDM4EALDH1A1HSD17B10HPGDCA12
SCHEMBL9717113 0.77 F2 (0.45) KDM4EALDH1A1HSD17B10CA12CA1
SCHEMBL11626057 0.74 F2 (0.40) ALDH1A1HSD17B10HPGDF2PRSS1
SCHEMBL29049264 0.73 CA12 (0.48) KDM4EALDH1A1HSD17B10HPGDCA12
SCHEMBL9253423 0.68 LMNA (0.39) ALDH1A1CA12CA1CA2CA7

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4140862-A Salts of diamines and tetrahalophthalates CITIES SERVICE COMPANY (US) 1979-02-20 US disclosed