SCHEMBL9168936

SCHEMBL9168936

COc1ccc(S(=O)(=O)N(Cc2csc(C)n2)C(CCN2CCOCC2)C(=O)NO)cc1

nearest known ligand 0.52

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
BMP1 P13497 15/20 0.52
MMP3 P08254 2/20 0.50
MMP1 P03956 3/20 0.49
MMP2 P08253 3/20 0.49
MMP13 P45452 2/20 0.49
MMP9 P14780 2/20 0.49
MMP8 P22894 3/20 0.46
LMNA P02545 1/20 0.44

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
Hydrochloric Acid SCHEMBL6413092 0.99 BMP1 (0.51) BMP1MMP3MMP1MMP2MMP13
SCHEMBL9174634 0.85 MMP2 (0.54) BMP1MMP3MMP1MMP2MMP13
Hydrochloric Acid SCHEMBL7348474 0.84 MMP2 (0.53) BMP1MMP3MMP1MMP2MMP13
SCHEMBL7349366 0.83 MMP2 (0.64) BMP1MMP3MMP1MMP2MMP13
SCHEMBL6434395 0.82 MMP3 (0.57) BMP1MMP3MMP1MMP2MMP13
SCHEMBL7346831 0.82 MMP9 (0.66) BMP1MMP3MMP1MMP2MMP13
Hydrochloric Acid SCHEMBL6413211 0.81 MMP9 (0.65) BMP1MMP3MMP1MMP2MMP13
Hydrochloric Acid SCHEMBL6416821 0.81 BMP1 (0.48) BMP1MMP1MMP2MMP13MMP9
Hydrochloric Acid SCHEMBL7427029 0.79 BMP1 (0.51) BMP1MMP1MMP2MMP13MMP9
Hydrochloric Acid SCHEMBL7343762 0.78 AVPR1B (0.53) BMP1MMP3MMP1MMP2MMP13

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
US-5455258-A Useful as inhibitors of matrix-degrading metalloproteinase enzymes such as stromelysin and/or collegenase CIBA-GEIGY CORPORATION (US) 1995-10-03 US disclosed