SCHEMBL6205574

SCHEMBL6205574

Cc1cc(COc2ccc(C(C(=O)c3ccccc3)C3(C)CCNC3=O)cc2)c2ccccc2n1

nearest known ligand 0.54

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ADAM17 P78536 5/20 0.54
MMP13 P45452 1/20 0.53
MMP2 P08253 2/20 0.51
ADAMTS4 O75173 1/20 0.49
MMP3 P08254 1/20 0.49
MMP7 P09237 1/20 0.49
MMP8 P22894 1/20 0.49
ADAMTS1 Q9UHI8 1/20 0.49
ADAMTS5 Q9UNA0 1/20 0.49

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
SCHEMBL6203871 0.78 ADAM17 (0.68) ADAM17MMP13MMP2MMP3MMP7
SCHEMBL1504715 0.72 ADAM17 (0.64) ADAM17MMP13MMP2MMP3
SCHEMBL3966497 0.71 ADAM17 (0.60) ADAM17MMP13MMP2
SCHEMBL6210176 0.70 ADAM17 (0.55) ADAM17MMP13MMP2
SCHEMBL3968177 0.70 ADAM17 (0.61) ADAM17MMP13MMP2ADAMTS4MMP3
SCHEMBL1504829 0.70 ADAM17 (0.61) ADAM17MMP13MMP2MMP3
SCHEMBL6322111 0.70 ADAM17 (0.73) ADAM17MMP13MMP2
SCHEMBL6263430 0.70 MMP13 (0.57) ADAM17MMP13MMP2ADAMTS4MMP3
SCHEMBL6321024 0.70 ADAM17 (1.00) ADAM17MMP13MMP2
SCHEMBL3964556 0.70 ADAM17 (0.69) ADAM17MMP13MMP2MMP3

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