SCHEMBL7990010

SCHEMBL7990010

O=CN(O)C(CCCO)CS(=O)(=O)c1ccc(-c2ccc(F)cc2)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MMP9 P14780 19/20 0.47
MMP2 P08253 18/20 0.47
MMP1 P03956 11/20 0.47
CHEK1 O14757 1/20 0.44
AURKA O14965 1/20 0.44
NTRK1 P04629 1/20 0.44
MET P08581 1/20 0.44
PIM1 P11309 1/20 0.44
FGFR1 P11362 1/20 0.44
PRKACA P17612 1/20 0.44
GRK5 P34947 1/20 0.44
MAP2K2 P36507 1/20 0.44
FLT3 P36888 1/20 0.44
MAPK8 P45983 1/20 0.44
MAPK9 P45984 1/20 0.44
CDK8 P49336 1/20 0.44
GSK3B P49841 1/20 0.44
CDK7 P50613 1/20 0.44
CDK9 P50750 1/20 0.44
RPS6KA3 P51812 1/20 0.44

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
SCHEMBL8005771 0.93 MMP9 (0.49) MMP9MMP2MMP1CHEK1AURKA
SCHEMBL7990333 0.88 MMP9 (0.46) MMP9MMP2MMP1CHEK1AURKA
SCHEMBL7679568 0.87 CHEK1 (0.60) MMP9MMP2MMP1CHEK1AURKA
SCHEMBL8005767 0.80 MMP9 (0.48) MMP9MMP2MMP1CHEK1AURKA
SCHEMBL7676525 0.80 CHEK1 (0.62) MMP9MMP2MMP1CHEK1AURKA
SCHEMBL7673479 0.78 MMP2 (0.58) MMP9MMP2MMP1
SCHEMBL8002342 0.78 MMP2 (0.80) MMP9MMP2MMP1
SCHEMBL7673930 0.74 MMP2 (0.57) MMP9MMP2MMP1CHEK1AURKA
SCHEMBL7673781 0.74 MMP9 (0.57) MMP9MMP2MMP1CHEK1AURKA
SCHEMBL7510249 0.74 CHEK1 (0.65) MMP9MMP2MMP1CHEK1AURKA

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
US-6294573-B1 FOR THERAPY RHEUMATOID ARTHRITIS, OSTEOARTHRITIS, OSTEOPENIAS SUCH AS OSTEOPOROSIS, PERIODONTITIS, GINGIVITIS, CORNEAL, EPIDERMAL OR GASTRIC ULCERATION, AND TUMOR GROWTH AND METASTASIS OR INVASION ABBOTT LABORATORIES 2001-09-25 US disclosed