SCHEMBL6205225

SCHEMBL6205225

Cc1cc(COc2ccc(C3(C)CCN(C)C3=O)cc2)c2ccccc2n1

nearest known ligand 0.69

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ADAM17 P78536 17/20 0.69
MMP13 P45452 5/20 0.69
MMP2 P08253 5/20 0.69
MMP9 P14780 4/20 0.69
MMP3 P08254 3/20 0.69
MMP1 P03956 2/20 0.69
MMP7 P09237 2/20 0.69
MMP8 P22894 2/20 0.69
MMP14 P50281 2/20 0.69
MMP15 P51511 1/20 0.69
MMP16 P51512 1/20 0.69
ADAM33 Q9BZ11 1/20 0.69
ADAM10 O14672 1/20 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
SCHEMBL5926615 0.87 ADAM17 (0.70) ADAM17MMP13MMP2MMP9MMP3
SCHEMBL5926019 0.86 ADAM17 (0.67) ADAM17MMP13MMP2MMP9MMP3
SCHEMBL5926043 0.86 ADAM17 (0.69) ADAM17MMP13MMP2MMP9MMP3
SCHEMBL5926277 0.86 ADAM17 (0.64) ADAM17MMP13MMP2MMP9MMP3
SCHEMBL5926082 0.85 ADAM17 (0.84) ADAM17MMP13MMP2MMP9MMP3
SCHEMBL5926083 0.85 ADAM17 (0.84) ADAM17MMP13MMP2MMP9MMP3
SCHEMBL5926102 0.84 ADAM17 (0.75) ADAM17MMP13MMP2MMP9MMP3
SCHEMBL6260532 0.84 ADAM17 (0.62) ADAM17MMP13MMP2MMP9MMP3
SCHEMBL5926078 0.84 ADAM17 (0.77) ADAM17MMP13MMP2MMP9MMP3
SCHEMBL5926103 0.84 ADAM17 (0.70) ADAM17MMP13MMP2MMP9MMP3

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-1551826-A1 HYDANTOINE DERIVATIVES AND THEIR USE AS TACE INHIBITORS Astrazeneca AB (SE) 2005-07-13 EP disclosed
WO-2004024721-A1 HYDANTOIN DERIVATIVES UND DEREN VERWENDUNG ALS TACE INHIBITOREN ASTRAZENECA AB (SE) 2004-03-25 WO disclosed