SCHEMBL13201503

SCHEMBL13201503

COc1ccc2c(c1)C(=O)N(C[C@]1(C#Cc3ccc4nc(C)ccc4c3)NC(=O)NC1=O)C2

nearest known ligand 0.75

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
ADAM17 P78536 12/20 0.75
TNF P01375 8/20 0.72

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
SCHEMBL8232761 1.00 ADAM17 (0.75) ADAM17TNF
SCHEMBL14441552 0.88 ADAM17 (0.74) ADAM17TNF
SCHEMBL13200668 0.88 ADAM17 (0.75) ADAM17TNF
SCHEMBL13200787 0.88 ADAM17 (0.75) ADAM17TNF
SCHEMBL13818704 0.88 ADAM17 (0.75) ADAM17TNF
SCHEMBL8227480 0.87 TNF (0.80) ADAM17TNF
SCHEMBL13200839 0.86 ADAM17 (0.77) ADAM17TNF
SCHEMBL13200143 0.86 ADAM17 (0.74) ADAM17TNF
SCHEMBL13201502 0.86 ADAM17 (0.74) ADAM17TNF
SCHEMBL13200912 0.86 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 2 patents. 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
US-7772263-B2 Compounds for the treatment of inflammatory disorders SCHERING CORPORATION (US) 2010-08-10 US disclosed