SCHEMBL6570337

SCHEMBL6570337

O=C1c2c(Br)c(Br)c(Br)c(Br)c2C(=O)N1CCCCCCN1C(=O)c2c(Br)c(Br)c(Br)c(Br)c2C1=O

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 2/20 0.45
CA1 P00915 2/20 0.45
CA2 P00918 2/20 0.45
CA7 P43166 2/20 0.45
CA9 Q16790 2/20 0.45
CA4 P22748 1/20 0.45
MGLL Q99685 3/20 0.41
RAB9A P51151 3/20 0.41
FAAH O00519 2/20 0.41
ALDH1A1 P00352 2/20 0.41
LMNA P02545 2/20 0.41
HTT P42858 2/20 0.41
RECQL P46063 2/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
HSP90AA1 P07900 1/20 0.41
TLR9 Q9NR96 1/20 0.41
TP53 P04637 1/20 0.41
MAPT P10636 1/20 0.41
PKM P14618 1/20 0.41
HPGD P15428 1/20 0.41

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
SCHEMBL10570526 1.00 CA12 (0.45) CA12CA1CA2CA7CA9
SCHEMBL5090368 0.98 CA12 (0.46) CA12CA1CA2CA7CA9
SCHEMBL11295187 0.93 CA1 (0.46) CA12CA1CA2CA7CA9
SCHEMBL7932533 0.90 PTGS1 (0.50) CA12CA1CA2CA7CA9
SCHEMBL94242 0.87 CA9 (0.49) CA12CA1CA2CA7CA9
SCHEMBL29366486 0.87 CA9 (0.49) CA12CA1CA2CA7CA9
SCHEMBL3683409 0.85 CA12 (0.41) CA12CA1CA2CA7CA9
SCHEMBL18136093 0.80 PTGS1 (0.48) MGLLFAAHALDH1A1HSP90AA1TP53
SCHEMBL16311238 0.80 PTGS1 (0.48) MGLLFAAHALDH1A1HSP90AA1TP53
SCHEMBL10933086 0.79 CA9 (0.44) CA12CA1CA2CA7CA9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1405879-A1 FLAME RETARDANT POLYETHYLENE TEREPHTHALATE RESIN COMPOSITION Win Tech Polymer Ltd. (JP) 2004-04-07 EP disclosed
US-5284604-A Comprising brominated-phenoxytriazines and bis/tetrabromo-phthalimide/ compounds DAI-ICHI KOGYO SEIYAKU CO., LTD. (JP) 1994-02-08 US disclosed
US-4328357-A Process for preparing nitrogen compounds SAYTECH, INC. (US) 1982-05-04 US disclosed
US-4140862-A Salts of diamines and tetrahalophthalates CITIES SERVICE COMPANY (US) 1979-02-20 US disclosed
US-4125535-A Process for preparing bisimides and bisimides prepared thereby CITIES SERVICE COMPANY (US) 1978-11-14 US disclosed
US-4092345-A (Cyclo)alkylenediammonium-bis-tetrahalophthalates CITIES SERVICE COMPANY (US) 1978-05-30 US disclosed