SCHEMBL8745507

SCHEMBL8745507

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

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PLCG1 P19174 1/20 0.52
MMP2 P08253 5/20 0.52
CA12 O43570 3/20 0.52
CA14 Q9ULX7 2/20 0.52
CA2 P00918 3/20 0.48
CA9 Q16790 2/20 0.43
MMP1 P03956 2/20 0.43
MMP9 P14780 2/20 0.43
MMP13 P45452 2/20 0.43
CA1 P00915 1/20 0.43
MMP8 P22894 1/20 0.43
F2 P00734 1/20 0.39
PRSS1 P07477 1/20 0.39
PRSS2 P07478 1/20 0.39
PRSS3 P35030 1/20 0.39
IDO1 P14902 1/20 0.39
AKR1B1 P15121 1/20 0.38
CYP19A1 P11511 1/20 0.38
EGFR P00533 1/20 0.38
ERBB2 P04626 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
SCHEMBL8745502 0.77 ALDH1A1 (0.52) MMP2CA12CA14CA2CA9
SCHEMBL12463013 0.75 MMP2 (0.47) PLCG1MMP2CA12CA14CA2
SCHEMBL152957 0.74 MMP2 (0.53) PLCG1MMP2CA12CA14CA2
SCHEMBL6729425 0.74 MMP2 (0.53) PLCG1MMP2CA12CA14CA2
SCHEMBL753122 0.74 MMP2 (0.53) PLCG1MMP2CA12CA14CA2
SCHEMBL8745537 0.72 ALDH1A1 (0.53) CA2CA1KMT2AGAA
SCHEMBL12674211 0.72 MMP2 (0.47) PLCG1MMP2CA12CA14CA2
SCHEMBL13813079 0.72 MMP2 (0.47) PLCG1MMP2CA12CA14CA2
SCHEMBL21921004 0.71 CA12 (0.55) PLCG1MMP2CA12CA14CA2
SCHEMBL14850017 0.71 MMP2 (0.50) PLCG1MMP2CA12CA14CA2

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
EP-0654149-B1 POSITIVE-ACTING RADIATION-SENSITIVE MIXTURE AND RECORDING MATERIAL PRODUCED THEREWITH HOECHST AG (DE) 1997-02-05 EP disclosed