Sugi Predict

Sugi Predict / Compounds / SCHEMBL8433429

SCHEMBL8433429

SCHEMBL8433429

COC(=O)N[C@H]1CCCN(S(=O)(=O)c2ccc(OCc3nnn[nH]3)cc2)[C@H]1C(=O)NO

nearest known ligand 0.46

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ MMP1 P03956 17/20 0.46
▸ ADAM17 P78536 15/20 0.46
▸ MMP13 P45452 14/20 0.46
▸ MMP3 P08254 3/20 0.43
▸ MMP7 P09237 2/20 0.43
▸ MMP9 P14780 1/20 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
SCHEMBL7150947 0.87 ADAM17 (0.49) MMP1ADAM17MMP13MMP3MMP9
SCHEMBL5761741 0.87 ADAM17 (0.49) MMP1ADAM17MMP13MMP3MMP9
SCHEMBL7150958 0.87 ADAM17 (0.49) MMP1ADAM17MMP13MMP3MMP9
SCHEMBL7150952 0.87 ADAM17 (0.49) MMP1ADAM17MMP13MMP3MMP9
SCHEMBL8432172 0.83 MMP1 (0.61) MMP1ADAM17MMP13MMP3MMP9
SCHEMBL8432174 0.83 MMP1 (0.61) MMP1ADAM17MMP13MMP3MMP9
SCHEMBL8435353 0.82 MMP1 (0.66) MMP1ADAM17MMP13MMP3
SCHEMBL8435351 0.82 MMP1 (0.66) MMP1ADAM17MMP13MMP3
SCHEMBL8570605 0.81 ADAM17 (0.47) MMP1ADAM17MMP13MMP3MMP7
SCHEMBL8521491 0.81 ADAM17 (0.49) MMP1ADAM17MMP13

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-0960098-A1 ARYLSULFONYL HYDROXAMIC ACID DERIVATIVES PFIZER INC. (US) 1999-12-01 — — EP disclosed
WO-1998034918-A1 ARYLSULFONYL HYDROXAMIC ACID DERIVATIVES PFIZER INC. (US) 1998-08-13 — — WO disclosed