SCHEMBL7943859

SCHEMBL7943859

COc1ccc2c(c1F)C(=O)N([C@@]1(c3cc4nc(-c5cccc(C#N)c5)ccc4o3)NC(=O)NC1=O)C2

nearest known ligand 0.50

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
ADAM17 P78536 7/20 0.50
TNF P01375 13/20 0.46

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
SCHEMBL7941650 0.86 ADAM17 (0.66) ADAM17TNF
SCHEMBL10263513 0.81 ADAM17 (0.58) ADAM17TNF
SCHEMBL10263357 0.74 ADAM17 (0.69) ADAM17TNF
SCHEMBL10263515 0.73 ADAM17 (0.74) ADAM17TNF
SCHEMBL7935221 0.73 TNF (0.49) ADAM17TNF
SCHEMBL7941661 0.72 ADAM17 (0.72) ADAM17TNF
SCHEMBL7944486 0.72 ADAM17 (0.58) ADAM17TNF
SCHEMBL7945166 0.71 ADAM17 (0.74) ADAM17TNF
SCHEMBL7941689 0.70 ADAM17 (0.67) ADAM17TNF
SCHEMBL7944317 0.70 ADAM17 (0.73) 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
WO-2010054278-A2 COMPOUNDS FOR THE TREATMENT OF INFLAMMATORY DISORDERS SCHERING CORPORATION (US) 2010-05-14 WO disclosed