SCHEMBL7320002

SCHEMBL7320002

COc1ccc(-c2ccc(S(=O)(=O)c3c(C(=O)NO)cc(Cc4cccnc4)c(N)c3C)cc2)c(OC)c1

nearest known ligand 0.47

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
MMP9 P14780 14/20 0.47
MMP13 P45452 14/20 0.47
MMP1 P03956 13/20 0.47
ADAM17 P78536 12/20 0.47
NAMPT P43490 4/20 0.46
PDK1 Q15118 1/20 0.44
MAPT P10636 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
L3MBTL1 Q9Y468 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
SCHEMBL7318793 0.91 MMP9 (0.53) MMP9MMP13MMP1ADAM17NAMPT
SCHEMBL7324868 0.83 MMP9 (0.50) MMP9MMP13MMP1ADAM17NAMPT
SCHEMBL7322273 0.82 NAMPT (0.48) MMP9MMP13MMP1ADAM17NAMPT
SCHEMBL7311165 0.81 NAMPT (0.47) MMP9MMP13MMP1ADAM17NAMPT
SCHEMBL7325108 0.81 MMP13 (0.47) MMP9MMP13MMP1ADAM17NAMPT
SCHEMBL7320609 0.80 MMP9 (0.49) MMP9MMP13MMP1ADAM17NAMPT
SCHEMBL7322178 0.80 NAMPT (0.41) MMP9MMP13MMP1ADAM17NAMPT
SCHEMBL7315190 0.79 MMP9 (0.46) MMP9MMP13MMP1ADAM17NAMPT
Hydrochloric Acid SCHEMBL7319142 0.79 MMP9 (0.51) MMP9MMP13MMP1ADAM17NAMPT
Hydrochloric Acid SCHEMBL7323698 0.78 MMP9 (0.52) 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