SCHEMBL6022178

SCHEMBL6022178

O=C(NO)C1CC2(CC2)CN(C(=O)O)C1C(=O)C1CC(c2ccccc2)=CCN1

nearest known ligand 0.51

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ADAM10 O14672 20/20 0.51
MMP2 P08253 18/20 0.51
MMP9 P14780 13/20 0.51
ERBB2 P04626 8/20 0.50
MMP3 P08254 8/20 0.50
MMP12 P39900 1/20 0.50
MMP14 P50281 1/20 0.50
ADAM8 P78325 1/20 0.50
ADAM17 P78536 1/20 0.50
ADAM33 Q9BZ11 1/20 0.50
MMP1 P03956 3/20 0.46

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
SCHEMBL4536939 1.00 ADAM10 (0.51) ADAM10MMP2MMP9ERBB2MMP3
SCHEMBL5038314 0.93 ADAM10 (0.52) ADAM10MMP2MMP9ERBB2MMP3
SCHEMBL5039536 0.93 ADAM10 (0.52) ADAM10MMP2MMP9ERBB2MMP3
SCHEMBL5045222 0.91 ADAM10 (0.63) ADAM10MMP2MMP9ERBB2MMP3
SCHEMBL4537261 0.90 ADAM10 (0.60) ADAM10MMP2MMP9ERBB2MMP3
SCHEMBL4530938 0.90 ADAM10 (0.60) ADAM10MMP2MMP9ERBB2MMP3
SCHEMBL5039435 0.89 ADAM10 (0.54) ADAM10MMP2MMP9ERBB2MMP3
SCHEMBL5038402 0.88 ADAM10 (0.46) ADAM10MMP2MMP9ERBB2MMP3
SCHEMBL5038591 0.87 ADAM10 (0.56) ADAM10MMP2MMP9ERBB2MMP3
SCHEMBL5039057 0.86 ADAM10 (0.52) ADAM10MMP2MMP9ERBB2MMP3

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-1613269-A2 COMPOSITIONS, METHODS AND KITS RELATING TO HER-2 CLEAVAGE Incyte Corporation (US) 2006-01-11 EP disclosed
WO-2004089294-A2 COMPOSITIONS, METHODS AND KITS RELATING TO HER-2 CLEAVAGE INCYTE CORPORATION (US) 2004-10-21 WO disclosed