SCHEMBL11280304

SCHEMBL11280304

CN(C)c1cc(Br)cc(Br)c1-c1ccc(Br)cc1Br

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CCR5 P51681 1/20 0.40
▸ ALOX15 P16050 1/20 0.34
▸ MAPK1 P28482 2/20 0.33
▸ ALDH1A1 P00352 2/20 0.33
▸ L3MBTL1 Q9Y468 2/20 0.33
▸ HSP90AA1 P07900 1/20 0.33
▸ TLR9 Q9NR96 1/20 0.33
▸ S100A4 P26447 1/20 0.33
▸ PYCR1 P32322 1/20 0.33
▸ TDP1 Q9NUW8 1/20 0.33
▸ APP P05067 1/20 0.32
▸ POLB P06746 1/20 0.31
▸ MEN1 O00255 2/20 0.31
▸ KMT2A Q03164 2/20 0.31
▸ RAB9A P51151 1/20 0.31
▸ PTK2B Q14289 1/20 0.31
▸ NPSR1 Q6W5P4 1/20 0.31
▸ CA1 P00915 1/20 0.31
▸ CA2 P00918 1/20 0.31
▸ CA7 P43166 1/20 0.31

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
Water SCHEMBL28177310 0.79 ALOX15 (0.42) ALOX15MAPK1ALDH1A1L3MBTL1HSP90AA1
SCHEMBL9485990 0.74 CCR5 (0.42) CCR5ALOX15MAPK1ALDH1A1L3MBTL1
SCHEMBL9566865 0.74 ALOX15 (0.42) CCR5ALOX15MAPK1ALDH1A1L3MBTL1
SCHEMBL4552704 0.72 MAPK1 (0.42) CCR5MAPK1ALDH1A1S100A4APP
SCHEMBL28408274 0.72 ALOX15 (0.52) ALOX15MAPK1ALDH1A1L3MBTL1HSP90AA1
SCHEMBL18360453 0.71 CCR5 (0.44) CCR5MAPK1ALDH1A1PYCR1APP
SCHEMBL11013516 0.71 ALOX15 (0.52) ALOX15MAPK1ALDH1A1L3MBTL1HSP90AA1
Water SCHEMBL28487363 0.69 ALOX15 (0.50) ALOX15MAPK1ALDH1A1L3MBTL1HSP90AA1
SCHEMBL18228396 0.69 CCR5 (0.41) CCR5ALOX15MAPK1ALDH1A1PYCR1
SCHEMBL18228501 0.68 CCR5 (0.53) CCR5MAPK1ALDH1A1L3MBTL1PYCR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0044184-A2 Blend of polyarylene sulfide and wholly aromatic polyester CELANESE CORPORATION (US) 1982-01-20 — — EP disclosed
US-4276397-A IMPROVED PROCESSABILITY TO FORM MOLDED ARTICLES CELANESE CORPORATION (US) 1981-06-30 — — US disclosed
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