SCHEMBL5035330

SCHEMBL5035330

CC(C)c1cccc(C2=CCNC(C(=O)C3C(C(=O)NO)CC4(CC4)CN3C)C2)c1

nearest known ligand 0.53

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ADAM10 O14672 20/20 0.53
MMP2 P08253 19/20 0.53
MMP9 P14780 14/20 0.53
MMP3 P08254 8/20 0.53
ERBB2 P04626 5/20 0.47
MMP1 P03956 4/20 0.40
MMP12 P39900 2/20 0.39
MMP14 P50281 2/20 0.39
ADAM17 P78536 2/20 0.39
ADAM33 Q9BZ11 2/20 0.39
ADAM8 P78325 1/20 0.39
MMP7 P09237 1/20 0.36
MMP8 P22894 1/20 0.36
ADAM9 Q13443 1/20 0.36

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
SCHEMBL4530938 0.88 ADAM10 (0.60) ADAM10MMP2MMP9MMP3ERBB2
SCHEMBL4537261 0.88 ADAM10 (0.60) ADAM10MMP2MMP9MMP3ERBB2
SCHEMBL5039259 0.85 ADAM10 (0.64) ADAM10MMP2MMP9MMP3ERBB2
SCHEMBL5038238 0.85 ADAM10 (0.64) ADAM10MMP2MMP9MMP3ERBB2
SCHEMBL5038740 0.83 ADAM10 (0.49) ADAM10MMP2MMP9MMP3ERBB2
SCHEMBL5045388 0.83 ADAM10 (0.49) ADAM10MMP2MMP9MMP3ERBB2
SCHEMBL5035568 0.80 ADAM10 (0.44) ADAM10MMP2MMP9MMP3ERBB2
SCHEMBL5035094 0.80 ADAM10 (0.49) ADAM10MMP2MMP9MMP3ERBB2
SCHEMBL17743482 0.80 ADAM10 (0.49) ADAM10MMP2MMP9MMP3ERBB2
SCHEMBL17743485 0.80 ADAM10 (0.49) ADAM10MMP2MMP9MMP3ERBB2

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1622569-A4 AZA SPIRO ALKANE DERIVATIVES AS INHIBITORS OF METALLPROTEASES INCYTE CORP (US) 2008-08-27 EP claimed
EP-1622569-A2 AZA SPIRO ALKANE DERIVATIVES AS INHIBITORS OF METALLPROTEASES Incyte Corporation (US) 2006-02-08 EP claimed
WO-2004096139-A2 AZA SPIRO ALKANE DERIVATIVES AS INHIBITORS OF METALLOPROTEASES INCYTE CORPORATION (US) 2004-11-11 WO claimed