SCHEMBL8745504

SCHEMBL8745504

CC(S(=O)(=O)c1ccc(Br)cc1)(S(=O)(=O)c1ccc(Br)cc1)S(=O)(=O)c1ccc(Br)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA2 P00918 3/20 0.50
ALDH1A1 P00352 2/20 0.50
PLCG1 P19174 1/20 0.48
MMP2 P08253 3/20 0.45
CA12 O43570 2/20 0.45
CA9 Q16790 1/20 0.45
CA1 P00915 1/20 0.45
MMP1 P03956 1/20 0.45
MMP9 P14780 1/20 0.45
MMP8 P22894 1/20 0.45
MMP13 P45452 1/20 0.45
F2 P00734 2/20 0.41
PRSS1 P07477 2/20 0.41
PRSS2 P07478 2/20 0.41
PRSS3 P35030 2/20 0.41
IDO1 P14902 1/20 0.41
HTT P42858 2/20 0.40
MAPK1 P28482 1/20 0.40
CA14 Q9ULX7 1/20 0.39
TP53 P04637 1/20 0.38

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
SCHEMBL14255285 0.86 ALDH1A1 (0.61) CA2ALDH1A1PLCG1MMP2CA12
SCHEMBL5403737 0.85 CA2 (0.54) CA2ALDH1A1PLCG1MMP2CA12
SCHEMBL31713539 0.82 CA2 (0.46) CA2ALDH1A1PLCG1MMP2CA12
SCHEMBL4932324 0.79 PLCG1 (0.47) CA2ALDH1A1PLCG1MMP2CA12
SCHEMBL16098137 0.79 CA2 (0.43) CA2ALDH1A1PLCG1MMP2CA12
SCHEMBL18084499 0.79 PLCG1 (0.47) CA2ALDH1A1PLCG1MMP2CA12
SCHEMBL8745517 0.78 GAA (0.56) CA2ALDH1A1MMP2CA12CA9
SCHEMBL714645 0.76 CA2 (0.50) CA2ALDH1A1PLCG1MMP2CA12
SCHEMBL24590292 0.76 PLCG1 (0.44) CA2ALDH1A1PLCG1MMP2CA12
SCHEMBL13625364 0.76 CA2 (0.41) CA2ALDH1A1PLCG1MMP2CA12

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
EP-0654149-B1 POSITIVE-ACTING RADIATION-SENSITIVE MIXTURE AND RECORDING MATERIAL PRODUCED THEREWITH HOECHST AG (DE) 1997-02-05 EP disclosed
EP-0654149-A1 POSITIVE-ACTING RADIATION-SENSITIVE MIXTURE AND RECORDING MATERIAL PRODUCED THEREWITH. HOECHST AG (DE) 1995-05-24 EP disclosed
WO-1994003837-A1 POSITIVE-ACTING RADIATION-SENSITIVE MIXTURE AND RECORDING MATERIAL PRODUCED THEREWITH HOECHST AKTIENGESELLSCHAFT (DE) 1994-02-17 WO disclosed