SCHEMBL13462016

SCHEMBL13462016

COc1ccc2c(c1)C(=O)N(C[C@H](NC(=O)NC=O)c1ccc(-c3cc[nH]n3)cc1)C2

nearest known ligand 0.40

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
▸ ADAM17 P78536 14/20 0.40
▸ MAPK1 P28482 4/20 0.37
▸ TNF P01375 2/20 0.37

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
SCHEMBL8420164 0.87 ADAM17 (0.49) ADAM17MAPK1TNF
SCHEMBL13948110 0.87 ADAM17 (0.41) ADAM17TNF
SCHEMBL8420723 0.87 ADAM17 (0.45) ADAM17MAPK1TNF
SCHEMBL8420455 0.87 ADAM17 (0.41) ADAM17MAPK1
SCHEMBL13462074 0.87 ADAM17 (0.38) ADAM17MAPK1TNF
SCHEMBL8421968 0.87 MAPK1 (0.42) ADAM17MAPK1TNF
SCHEMBL8420166 0.87 ADAM17 (0.52) ADAM17MAPK1TNF
SCHEMBL8422048 0.86 ADAM17 (0.48) ADAM17MAPK1
SCHEMBL13462000 0.86 ADAM17 (0.39) ADAM17MAPK1TNF
SCHEMBL8420286 0.86 ADAM17 (0.40) ADAM17MAPK1TNF

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7687527-B2 Compounds for the treatment of inflammatory disorders SCHERING CORPORATION (US) 2010-03-30 — — US disclosed
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