Sugi Predict

Sugi Predict / Compounds / SCHEMBL17039265

SCHEMBL17039265

SCHEMBL17039265

NCc1nc(-c2ccc(Oc3ccc(S(=O)(=O)C[C@H]4CS4)cc3)cc2)no1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ MMP2 P08253 20/20 1.00
▸ MMP9 P14780 20/20 1.00
▸ MMP14 P50281 16/20 1.00
▸ MMP8 P22894 10/20 0.62
▸ MMP3 P08254 6/20 0.58
▸ MMP7 P09237 4/20 0.56
▸ MMP1 P03956 1/20 0.56
▸ ADAM17 P78536 1/20 0.56

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
SCHEMBL17039263 1.00 MMP2 (1.00) MMP2MMP9MMP14MMP8MMP3
Hydrochloric Acid SCHEMBL17026720 0.99 MMP2 (0.98) MMP2MMP9MMP14MMP8MMP3
SCHEMBL18383659 0.88 MMP2 (0.78) MMP2MMP9MMP14MMP8MMP3
SCHEMBL28343633 0.87 MMP2 (0.77) MMP2MMP9MMP14MMP8MMP3
SCHEMBL17026740 0.85 MMP2 (0.74) MMP2MMP9MMP14MMP8MMP3
Hydrochloric Acid SCHEMBL28343631 0.82 MMP2 (0.70) MMP2MMP9MMP14MMP8MMP3
SCHEMBL20496165 0.81 MMP2 (0.68) MMP2MMP9MMP14MMP8MMP3
SCHEMBL17039179 0.81 MMP2 (0.67) MMP2MMP9MMP14MMP8MMP3
SCHEMBL17039275 0.77 MMP2 (1.00) MMP2MMP9MMP14MMP8MMP3
SCHEMBL19087061 0.77 MMP2 (1.00) MMP2MMP9MMP14MMP8MMP3

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
WO-2015127302-A1 SELECTIVE MATRIX METALLOPROTEINASE INHIBITORS UNIVERSITY OF NOTRE DAME DU LAC (US) 2015-08-27 — — WO disclosed
Send feedback