SCHEMBL6719280

SCHEMBL6719280

O=C(OCc1ccccc1)C(CCn1c(=O)c(F)cn(COCc2ccccc2)c1=O)NS(=O)(=O)c1ccc(Oc2ccccc2)cc1

nearest known ligand 0.39

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MMP2 P08253 10/20 0.39
MMP13 P45452 6/20 0.39
MMP3 P08254 4/20 0.39
MMP9 P14780 9/20 0.38
ADAM10 O14672 3/20 0.38
ADAM17 P78536 3/20 0.38
ADAMTS4 O75173 2/20 0.38
MMP1 P03956 3/20 0.38
MMP14 P50281 2/20 0.38
KMT2A Q03164 2/20 0.38
MEN1 O00255 1/20 0.38
LMNA P02545 1/20 0.37
MMP7 P09237 2/20 0.36
S1PR1 P21453 1/20 0.36

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
SCHEMBL6722526 0.90 MMP13 (0.41) MMP2MMP13MMP3MMP9ADAM10
SCHEMBL6722440 0.87 MMP2 (0.40) MMP2MMP13MMP3MMP9ADAM10
SCHEMBL6722471 0.83 MMP13 (0.41) MMP2MMP13MMP3MMP9ADAM10
SCHEMBL6723939 0.83 DUT (0.45) MMP2MMP13MMP9KMT2AMEN1
SCHEMBL6723460 0.78 MMP2 (0.41) MMP2MMP13MMP3MMP9ADAM10
SCHEMBL6719868 0.77 MMP2 (0.45) MMP2MMP13MMP3MMP9ADAM17
SCHEMBL6719618 0.77 ADAM17 (0.37) MMP2MMP13MMP3MMP9ADAM10
SCHEMBL6723629 0.77 MMP2 (0.56) MMP2MMP13MMP3MMP9ADAM10
SCHEMBL6722486 0.74 DUT (0.46) MMP2MMP13MMP9MMP1LMNA
SCHEMBL6723870 0.73 MMP2 (0.41) MMP2MMP13MMP3MMP9ADAM17

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6673804-B1 PREVENTING OR TREATING ARTHRITIS (PARTICULARLY OSTEOARTHRITIS) OR INHIBITING METASTASIS, INVASION OR GROWTH OF CANCER (PARTICULARLY BREAST CANCER) SANKYO COMPANY, LIMITED (JP) 2004-01-06 US disclosed
EP-1069110-A1 SULFONAMIDE DERIVATIVES Sankyo Company Limited (JP) 2001-01-17 EP disclosed