SCHEMBL208853

SCHEMBL208853

O=C(NO)[C@H]1CCCC[C@@H]1C(=O)N1CCN(c2ccc(F)cc2)CC1

nearest known ligand 0.77

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ADAM10 O14672 6/20 0.77
ERBB2 P04626 6/20 0.77
MMP2 P08253 6/20 0.77
CTSK P43235 11/20 0.70
CTSS P25774 10/20 0.70
CTSB P07858 9/20 0.70
KCNH2 Q12809 1/20 0.67
MMP9 P14780 4/20 0.55
LMNA P02545 1/20 0.50
TSHR P16473 1/20 0.50
KMT2A Q03164 1/20 0.50

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
SCHEMBL4896532 0.85 CTSK (0.64) ADAM10ERBB2MMP2CTSKCTSS
SCHEMBL6394484 0.85 CTSK (0.64) ADAM10ERBB2MMP2CTSKCTSS
SCHEMBL8115758 0.81 CTSK (1.00) CTSKCTSSCTSBKCNH2
SCHEMBL4899778 0.78 CTSK (0.89) CTSKCTSSCTSBKCNH2
SCHEMBL2174006 0.77 ADAM10 (0.61) ADAM10ERBB2MMP2MMP9
SCHEMBL3458216 0.77 ADAM10 (0.61) ADAM10ERBB2MMP2MMP9
SCHEMBL4894615 0.77 CTSK (0.87) CTSKCTSSCTSBKCNH2
SCHEMBL26706252 0.76 MAPT (0.69) LMNATSHRKMT2A
SCHEMBL4891813 0.75 CTSK (0.65) ADAM10ERBB2MMP2CTSKCTSS
SCHEMBL4889472 0.74 CTSK (0.77) ADAM10ERBB2MMP2CTSKCTSS

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9345677-B2 Compositions, methods and kits relating to HER-2 cleavage INCYTE CORPORATION (US) 2016-05-24 US disclosed
EP-1613269-B1 COMPOSITIONS, METHODS AND KITS RELATING TO HER-2 CLEAVAGE INCYTE CORP (US) 2015-02-25 EP disclosed
US-20120263676-A1 COMPOSITIONS, METHODS AND KITS RELATING TO HER-2 CLEAVAGE INCYTE CORPORATION, A DELAWARE CORPORATION 2012-10-18 US disclosed
US-8088737-B2 Treating a cancer, in particular breast cancer, that overexpresses Her-2 by administering an ADAM inhibitor; novel variants of ADAM15 and ADAM15; synergistic effect between inhibition of Her-2 cleavage by an ADAM and certain cytostatic (e.g., Herceptin) and cytotoxic (e.g., Taxol) compounds INCYTE CORPORATION (US) 2012-01-03 US disclosed
US-20040247602-A1 Compositions, methods and kits relating to Her-2 cleavage INCYTE CORPORATION 2004-12-09 US disclosed