SCHEMBL13219081

SCHEMBL13219081

COc1ccc2c(c1)C(=O)N(C[C@@]1(C#Cc3ccc(C)c(C)c3)NC(=O)NC1=O)C2

nearest known ligand 0.84

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
ADAM17 P78536 13/20 0.84
TNF P01375 7/20 0.75
PARP1 P09874 1/20 0.74

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
SCHEMBL13200167 0.92 ADAM17 (0.80) ADAM17TNFPARP1
SCHEMBL13200178 0.92 ADAM17 (0.81) ADAM17TNF
SCHEMBL13200163 0.92 ADAM17 (0.81) ADAM17TNF
SCHEMBL13200912 0.92 ADAM17 (1.00) ADAM17TNFPARP1
SCHEMBL13201116 0.91 ADAM17 (0.91) ADAM17TNFPARP1
SCHEMBL13825321 0.90 ADAM17 (0.89) ADAM17TNFPARP1
SCHEMBL13201102 0.89 ADAM17 (0.88) ADAM17TNFPARP1
SCHEMBL13201241 0.89 ADAM17 (0.77) ADAM17TNFPARP1
SCHEMBL13200320 0.88 ADAM17 (0.83) ADAM17TNF
SCHEMBL8237439 0.88 ADAM17 (1.00) ADAM17TNFPARP1

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-7772263-B2 Compounds for the treatment of inflammatory disorders SCHERING CORPORATION (US) 2010-08-10 US disclosed