SCHEMBL7313728

SCHEMBL7313728

COc1ccc(S(=O)(=O)c2c(C(=O)O)cc(Cc3ccsc3)c(N)c2CN2CCN(C)CC2)cc1

nearest known ligand 0.39

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MMP1 P03956 4/20 0.39
MMP9 P14780 4/20 0.39
MMP13 P45452 4/20 0.39
ADAM17 P78536 4/20 0.39
HTR6 P50406 8/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
CA2 P00918 1/20 0.38
LMNA P02545 1/20 0.36
MCL1 Q07820 1/20 0.35
CHKA P35790 1/20 0.35
CYP3A4 P08684 1/20 0.35
CYP2D6 P10635 1/20 0.35

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
SCHEMBL7316642 0.91 MMP9 (0.48) MMP1MMP9MMP13ADAM17HTR6
SCHEMBL7316354 0.79 NAMPT (0.42) MMP1MMP9MMP13LMNA
SCHEMBL7351590 0.75 MMP9 (0.41) MMP1MMP9MMP13ADAM17HTR6
SCHEMBL7316231 0.75 MMP1 (0.44) MMP1MMP9MMP13ADAM17HTR6
SCHEMBL7322465 0.74 MMP2 (0.37) MMP1MMP9MMP13ADAM17L3MBTL1
SCHEMBL7321295 0.74 MMP9 (0.49) MMP1MMP9MMP13ADAM17HTR6
SCHEMBL7313738 0.72 NAMPT (0.43) MMP1MMP9MMP13ADAM17
SCHEMBL7315190 0.71 MMP9 (0.46) MMP1MMP9MMP13ADAM17
SCHEMBL7313719 0.70 MMP9 (0.59) MMP1MMP9MMP13ADAM17HTR6
SCHEMBL7323234 0.69 MMP1 (0.44) MMP1MMP9MMP13ADAM17HTR6

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-5929097-A INHIBIT TUMOR NECROSIS FACTOR-ALPHA CONVERTING ENZYME AMERICAN CYANAMID COMPANY (US) 1999-07-27 US disclosed