SCHEMBL7316642

SCHEMBL7316642

COc1ccc(S(=O)(=O)c2c(C(=O)NO)cc(Cc3ccsc3)c(N)c2CN2CCN(C)CC2)cc1

nearest known ligand 0.48

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MMP9 P14780 17/20 0.48
MMP13 P45452 17/20 0.48
MMP1 P03956 16/20 0.48
ADAM17 P78536 15/20 0.48
HTR6 P50406 1/20 0.37
MMP2 P08253 1/20 0.37
MMP8 P22894 1/20 0.37
MMP12 P39900 1/20 0.37
MMP14 P50281 1/20 0.37
MMP16 P51512 1/20 0.37
CA2 P00918 1/20 0.37
HDAC1 Q13547 1/20 0.37
HDAC6 Q9UBN7 1/20 0.37

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
SCHEMBL7313728 0.91 MMP1 (0.39) MMP9MMP13MMP1ADAM17HTR6
SCHEMBL7321295 0.83 MMP9 (0.49) MMP9MMP13MMP1ADAM17HTR6
SCHEMBL7315190 0.80 MMP9 (0.46) MMP9MMP13MMP1ADAM17
SCHEMBL7315622 0.77 MMP13 (0.46) MMP9MMP13MMP1ADAM17MMP2
SCHEMBL7316400 0.77 MMP9 (0.54) MMP9MMP13MMP1ADAM17MMP2
SCHEMBL7351590 0.75 MMP9 (0.41) MMP9MMP13MMP1ADAM17HTR6
SCHEMBL7325394 0.75 MMP13 (0.56) MMP9MMP13MMP1ADAM17MMP2
SCHEMBL7322465 0.74 MMP2 (0.37) MMP9MMP13MMP1ADAM17MMP2
SCHEMBL7316636 0.72 MMP9 (0.73) MMP9MMP13MMP1ADAM17
SCHEMBL7313738 0.72 NAMPT (0.43) MMP9MMP13MMP1ADAM17

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