SCHEMBL6914547

SCHEMBL6914547

O=S(=O)(O)c1cc(Br)ccc1Br.[AlH3]

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.43
LMNA P02545 2/20 0.42
HSP90AA1 P07900 1/20 0.41
TLR9 Q9NR96 1/20 0.41
S100A4 P26447 1/20 0.41
EDNRB P24530 2/20 0.40
EDNRA P25101 2/20 0.40
KMT2A Q03164 2/20 0.39
ALOX15 P16050 1/20 0.38
CA12 O43570 1/20 0.38
CA9 Q16790 1/20 0.38
MEN1 O00255 1/20 0.38
CA2 P00918 2/20 0.37
PTPRC P08575 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
CTSL P07711 1/20 0.36
CTSB P07858 1/20 0.36
CTSS P25774 1/20 0.36
CTSK P43235 1/20 0.36
WDR5 P61964 1/20 0.36

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
SCHEMBL198694 0.98 ALDH1A1 (0.44) ALDH1A1LMNAHSP90AA1TLR9S100A4
SCHEMBL31357032 0.98 ALDH1A1 (0.44) ALDH1A1LMNAHSP90AA1TLR9S100A4
SCHEMBL6913068 0.96 ALDH1A1 (0.43) ALDH1A1LMNAHSP90AA1TLR9S100A4
SCHEMBL6913064 0.96 ALDH1A1 (0.43) ALDH1A1LMNAHSP90AA1TLR9S100A4
Hydrochloric Acid SCHEMBL27293493 0.96 ALDH1A1 (0.43) ALDH1A1LMNAHSP90AA1TLR9S100A4
SCHEMBL6912833 0.96 ALDH1A1 (0.43) ALDH1A1LMNAHSP90AA1TLR9S100A4
SCHEMBL6914453 0.96 ALDH1A1 (0.43) ALDH1A1LMNAHSP90AA1TLR9S100A4
SCHEMBL6907775 0.96 ALDH1A1 (0.43) ALDH1A1LMNAHSP90AA1TLR9S100A4
SCHEMBL6909032 0.96 LMNA (0.46) ALDH1A1LMNAHSP90AA1TLR9S100A4
SCHEMBL6913343 0.96 ALDH1A1 (0.43) ALDH1A1LMNAHSP90AA1TLR9S100A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6830704-B2 Contains a Lewis acid metal salt and a compound having clathrating ability. TOAGOSEI CO., LTD. (JP) 2004-12-14 US disclosed
US-20030135016-A1 Contains a Lewis acid metal salt and a compound having clathrating ability. TOAGOSEI CO., LTD. 2003-07-17 US disclosed
US-6547985-B1 Adhesive mixture TOGOSEI CO., LTD. (JP) 2003-04-15 US disclosed