SCHEMBL13201591

SCHEMBL13201591

COc1ccc2c(c1)C(=O)N(CC1(C#Cc3cccc4ncsc34)NC(=O)NC1=O)C2

nearest known ligand 0.70

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
ADAM17 P78536 6/20 0.70
TNF P01375 14/20 0.67

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
SCHEMBL8235379 0.86 ADAM17 (0.68) ADAM17TNF
SCHEMBL13200425 0.85 ADAM17 (0.67) ADAM17TNF
SCHEMBL13200205 0.85 TNF (0.74) ADAM17TNF
SCHEMBL8235427 0.84 ADAM17 (0.76) ADAM17TNF
SCHEMBL13200567 0.84 ADAM17 (0.76) ADAM17TNF
SCHEMBL13201311 0.83 ADAM17 (0.74) ADAM17TNF
SCHEMBL13200801 0.83 TNF (0.78) ADAM17TNF
SCHEMBL13218946 0.83 ADAM17 (0.65) ADAM17
SCHEMBL13218737 0.83 ADAM17 (0.87) ADAM17TNF
SCHEMBL8227024 0.83 ADAM17 (1.00) ADAM17TNF

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