SCHEMBL7315190

SCHEMBL7315190

COc1ccc(S(=O)(=O)c2c(C(=O)NO)cc(Cc3cccnc3)c(N)c2CN2CCCC2)cc1

nearest known ligand 0.46

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
MMP9 P14780 18/20 0.46
MMP13 P45452 18/20 0.46
MMP1 P03956 17/20 0.46
ADAM17 P78536 15/20 0.46
NAMPT P43490 1/20 0.42
POLB P06746 1/20 0.41

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
SCHEMBL7313738 0.92 NAMPT (0.43) MMP9MMP13MMP1ADAM17NAMPT
SCHEMBL7316354 0.91 NAMPT (0.42) MMP9MMP13MMP1NAMPTPOLB
SCHEMBL7324868 0.89 MMP9 (0.50) MMP9MMP13MMP1ADAM17NAMPT
SCHEMBL7320609 0.88 MMP9 (0.49) MMP9MMP13MMP1ADAM17NAMPT
SCHEMBL7318793 0.87 MMP9 (0.53) MMP9MMP13MMP1ADAM17NAMPT
SCHEMBL7319364 0.81 MMP9 (0.54) MMP9MMP13MMP1ADAM17NAMPT
SCHEMBL7315622 0.81 MMP13 (0.46) MMP9MMP13MMP1ADAM17POLB
SCHEMBL7316691 0.81 MMP13 (0.48) MMP9MMP13MMP1ADAM17NAMPT
SCHEMBL7318942 0.81 MMP13 (0.52) MMP9MMP13MMP1ADAM17NAMPT
SCHEMBL7317531 0.81 NAMPT (0.47) MMP9MMP13MMP1ADAM17NAMPT

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