SCHEMBL7764274

SCHEMBL7764274

C1OO1.O=C(O)C1C(NO)SCCN1S(=O)(=O)c1ccc(OCc2ccc(F)cc2)cc1

nearest known ligand 0.53

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
MMP1 P03956 14/20 0.53
ADAM17 P78536 11/20 0.53
MMP13 P45452 4/20 0.53
MMP8 P22894 4/20 0.49
MMP3 P08254 4/20 0.49
MMP9 P14780 2/20 0.43

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
SCHEMBL6439947 0.92 ADAM17 (0.54) MMP1ADAM17MMP13MMP8MMP3
SCHEMBL6235947 0.83 MMP1 (0.58) MMP1ADAM17MMP13MMP8MMP3
SCHEMBL6237846 0.79 MMP1 (0.70) MMP1ADAM17MMP13MMP8MMP3
SCHEMBL6238225 0.79 MMP1 (0.70) MMP1ADAM17MMP13MMP8MMP3
SCHEMBL27573429 0.77 ADAM17 (0.59) MMP1ADAM17MMP13MMP8MMP3
SCHEMBL6240347 0.75 MMP1 (0.59) MMP1ADAM17MMP13MMP8MMP3
SCHEMBL6240405 0.74 MMP1 (0.56) MMP1ADAM17MMP13MMP8MMP3
SCHEMBL5756389 0.72 MMP1 (0.71) MMP1ADAM17MMP13MMP8MMP3
SCHEMBL7105952 0.72 MMP1 (0.71) MMP1ADAM17MMP13MMP8MMP3
SCHEMBL6236919 0.72 MMP1 (0.54) MMP1ADAM17MMP13MMP8MMP3

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
EP-1104412-A1 TACE INHIBITORS Pfizer Products Inc. (US) 2001-06-06 EP disclosed
WO-2000009492-A1 TACE INHIBITORS PFIZER PRODUCTS INC. (US) 2000-02-24 WO disclosed