SCHEMBL7313726

SCHEMBL7313726

COC(=O)c1cccc(CN2CCCC2)c1NCc1cccnc1S(=O)(=O)c1ccc(OC)cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MMP1 P03956 8/20 0.42
MMP9 P14780 8/20 0.42
MMP13 P45452 8/20 0.42
ADAM17 P78536 7/20 0.42
KDM4E B2RXH2 3/20 0.40
TDP1 Q9NUW8 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.38
HTR6 P50406 1/20 0.38
LMNA P02545 2/20 0.38
HTT P42858 2/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
ALDH1A1 P00352 1/20 0.38
GAA P10253 1/20 0.38
HSD17B10 Q99714 1/20 0.38
MMP2 P08253 2/20 0.38
MMP3 P08254 2/20 0.38
MMP8 P22894 2/20 0.38
MMP14 P50281 2/20 0.38

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
SCHEMBL7316350 0.93 MMP1 (0.42) MMP1MMP9MMP13ADAM17KDM4E
SCHEMBL7315174 0.92 MMP9 (0.51) MMP1MMP9MMP13ADAM17L3MBTL1
SCHEMBL7317521 0.87 MMP13 (0.41) MMP1MMP9MMP13ADAM17KDM4E
SCHEMBL7322032 0.87 MMP13 (0.40) MMP1MMP9MMP13ADAM17KDM4E
SCHEMBL7316579 0.86 KDM4E (0.44) MMP1MMP9MMP13ADAM17KDM4E
SCHEMBL7322262 0.86 LMNA (0.43) MMP1MMP9MMP13ADAM17KDM4E
SCHEMBL7316215 0.84 MMP13 (0.41) MMP1MMP9MMP13ADAM17KDM4E
SCHEMBL7315207 0.80 LMNA (0.55) MMP1MMP9MMP13ADAM17KDM4E
SCHEMBL7314645 0.80 MMP1 (0.46) MMP1MMP9MMP13ADAM17KDM4E
SCHEMBL7324047 0.79 GABRG2 (0.42) MMP1MMP9MMP13ADAM17LMNA

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