SCHEMBL7318935

SCHEMBL7318935

COC(=O)c1ccc(NCc2cccnc2)c(C(=O)NO)c1S(=O)(=O)c1ccc(OC)cc1

nearest known ligand 0.53

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MMP9 P14780 9/20 0.53
MMP13 P45452 9/20 0.53
MMP1 P03956 8/20 0.53
ADAM17 P78536 6/20 0.53
NAMPT P43490 3/20 0.52
GAA P10253 2/20 0.47
MEN1 O00255 1/20 0.46
KMT2A Q03164 1/20 0.46
ALDH1A1 P00352 1/20 0.46
MAPT P10636 1/20 0.44
MAPK1 P28482 1/20 0.44
NPSR1 Q6W5P4 1/20 0.44
SMN1; SMN2 Q16637 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
SCHEMBL7316683 0.93 NAMPT (0.52) MMP9MMP13MMP1ADAM17NAMPT
SCHEMBL7323200 0.93 MMP13 (0.50) MMP9MMP13MMP1ADAM17NAMPT
SCHEMBL7316583 0.91 NAMPT (0.53) MMP9MMP13MMP1ADAM17NAMPT
SCHEMBL7317524 0.86 NAMPT (0.53) MMP9MMP13MMP1ADAM17NAMPT
SCHEMBL7316220 0.86 NAMPT (0.53) MMP9MMP13MMP1ADAM17NAMPT
SCHEMBL7324861 0.84 NAMPT (0.52) MMP9MMP13MMP1ADAM17NAMPT
SCHEMBL7318343 0.84 NAMPT (0.49) MMP9MMP13MMP1NAMPTGAA
SCHEMBL7319361 0.84 MMP9 (0.56) MMP9MMP13MMP1ADAM17NAMPT
SCHEMBL7410709 0.80 MMP9 (0.52) MMP9MMP13MMP1ADAM17NAMPT
SCHEMBL7318942 0.79 MMP13 (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