SCHEMBL7314741

SCHEMBL7314741

COc1ccc(S(=O)(=O)c2c(C)cc(-c3ccc(Cc4cccnc4)c(N)c3C(F)(F)F)cc2C(=O)NO)cc1

nearest known ligand 0.53

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
MMP9 P14780 19/20 0.53
MMP13 P45452 19/20 0.53
MMP1 P03956 18/20 0.53
ADAM17 P78536 17/20 0.53

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 SCHEMBL7320381 0.94 MMP9 (0.52) MMP9MMP13MMP1ADAM17
SCHEMBL7321365 0.92 MMP9 (0.45) MMP9MMP13MMP1ADAM17
Hydrochloric Acid SCHEMBL7323698 0.88 MMP9 (0.52) MMP9MMP13MMP1ADAM17
SCHEMBL7317089 0.87 MMP9 (0.48) MMP9MMP13MMP1ADAM17
Hydrochloric Acid SCHEMBL7323801 0.85 MMP9 (0.48) MMP9MMP13MMP1ADAM17
SCHEMBL7324189 0.85 MMP9 (0.48) MMP9MMP13MMP1ADAM17
Hydrochloric Acid SCHEMBL7318232 0.85 MMP9 (0.48) MMP9MMP13MMP1ADAM17
Hydrochloric Acid SCHEMBL7319142 0.85 MMP9 (0.51) MMP9MMP13MMP1ADAM17
SCHEMBL7313293 0.83 MMP1 (0.43) MMP9MMP13MMP1ADAM17
SCHEMBL7317369 0.82 MMP9 (0.43) MMP9MMP13MMP1ADAM17

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-5929097-A INHIBIT TUMOR NECROSIS FACTOR-ALPHA CONVERTING ENZYME AMERICAN CYANAMID COMPANY (US) 1999-07-27 US disclosed