SCHEMBL6607945

SCHEMBL6607945

O=C(O)C1CN(C(=O)c2ccc(F)cc2Cl)c2ccccc2CN1S(=O)(=O)c1ccc(O)cc1

nearest known ligand 0.54

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
MMP1 P03956 10/20 0.54
MMP9 P14780 10/20 0.54
MMP13 P45452 10/20 0.54
ADAM17 P78536 10/20 0.54
AVPR2 P30518 7/20 0.44
AVPR1A P37288 6/20 0.44
MAPT P10636 1/20 0.43
MMP3 P08254 2/20 0.43
MMP8 P22894 2/20 0.43
OXTR P30559 1/20 0.42

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
SCHEMBL7224797 0.90 MMP1 (0.59) MMP1MMP9MMP13ADAM17AVPR2
SCHEMBL6612895 0.90 MMP1 (0.68) MMP1MMP9MMP13ADAM17MAPT
SCHEMBL6610148 0.84 MMP13 (0.55) MMP1MMP9MMP13ADAM17
SCHEMBL6609480 0.82 MMP1 (0.69) MMP1MMP9MMP13ADAM17MAPT
SCHEMBL6609461 0.81 MMP1 (0.61) MMP1MMP9MMP13ADAM17MAPT
SCHEMBL6612830 0.81 MMP1 (0.53) MMP1MMP9MMP13ADAM17MAPT
SCHEMBL7424968 0.79 MMP1 (0.63) MMP1MMP9MMP13ADAM17MMP3
SCHEMBL6624052 0.79 MMP1 (0.84) MMP1MMP9MMP13ADAM17MAPT
SCHEMBL6610535 0.79 MMP1 (0.73) MMP1MMP9MMP13ADAM17AVPR2
SCHEMBL6614379 0.79 MMP1 (0.65) MMP1MMP9MMP13ADAM17MAPT

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
EP-1147095-B1 2, 3, 4, 5-TETRAHYDRO-1H-[1, 4] BENZODIAZEPINE-3-HYDROXAMIC ACIDS AS MATRIX METALLOPROTEINASE INHIBITORS WYETH CORP (US) 2004-08-11 EP disclosed