SCHEMBL6203871

SCHEMBL6203871

Cc1cc(COc2ccc(C3(C)CCNC3=O)cc2)c2ccccc2n1

nearest known ligand 0.68

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ADAM17 P78536 12/20 0.68
MMP13 P45452 3/20 0.68
MMP2 P08253 3/20 0.62
MMP9 P14780 2/20 0.58
MMP1 P03956 1/20 0.58
MMP3 P08254 1/20 0.58
MMP7 P09237 1/20 0.58
MMP8 P22894 1/20 0.58
MMP14 P50281 1/20 0.58
MMP15 P51511 1/20 0.58
MMP16 P51512 1/20 0.58
ADAM33 Q9BZ11 1/20 0.58

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
SCHEMBL6322111 0.87 ADAM17 (0.73) ADAM17MMP13MMP2MMP9
SCHEMBL6321024 0.81 ADAM17 (1.00) ADAM17MMP13MMP2MMP9
SCHEMBL6205225 0.81 ADAM17 (0.69) ADAM17MMP13MMP2MMP9MMP1
SCHEMBL6205574 0.78 ADAM17 (0.54) ADAM17MMP13MMP2MMP3MMP7
SCHEMBL6325381 0.78 ADAM17 (0.68) ADAM17MMP13MMP2MMP9
SCHEMBL6319249 0.78 ADAM17 (0.68) ADAM17MMP13MMP2MMP9
SCHEMBL5926615 0.78 ADAM17 (0.70) ADAM17MMP13MMP2MMP9MMP1
SCHEMBL5926043 0.77 ADAM17 (0.69) ADAM17MMP13MMP2MMP9MMP1
SCHEMBL5926277 0.77 ADAM17 (0.64) ADAM17MMP13MMP2MMP9MMP1
SCHEMBL5926047 0.77 ADAM17 (0.61) ADAM17MMP13MMP2MMP9MMP1

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