SCHEMBL7935221

SCHEMBL7935221

COc1ccc2c(c1F)C(=O)N([C@]1(c3ccco3)NC(=O)NC1=O)C2

nearest known ligand 0.49

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
TNF P01375 17/20 0.49
ADAM17 P78536 3/20 0.44

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
SCHEMBL7935224 0.80 ADAM17 (0.66) TNFADAM17
SCHEMBL10262847 0.80 ADAM17 (0.66) TNFADAM17
SCHEMBL7943859 0.73 ADAM17 (0.50) TNFADAM17
SCHEMBL7946955 0.67 TNF (0.49) TNF
SCHEMBL10112861 0.66 TNF (1.00) TNF
SCHEMBL7941670 0.65 ADAM17 (0.58) TNFADAM17
SCHEMBL13921905 0.65 ADAM17 (0.46) TNFADAM17
SCHEMBL15128188 0.64 TNF (0.50) TNFADAM17
SCHEMBL7934580 0.64 ADAM17 (0.73) TNFADAM17
SCHEMBL10263143 0.64 ADAM17 (0.74) TNFADAM17

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