SCHEMBL7943331

SCHEMBL7943331

COc1ccc2c(c1F)C(=O)N(C[C@]1(c3cc4cc([C@@]5(C)NC(=O)NC5=O)c(F)cc4o3)CONC(=O)N1)C2

nearest known ligand 0.58

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
ADAM17 P78536 3/20 0.58
TNF P01375 17/20 0.57

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
SCHEMBL10263558 0.88 ADAM17 (0.74) ADAM17TNF
SCHEMBL10201906 0.88 ADAM17 (0.74) ADAM17TNF
SCHEMBL7944496 0.88 ADAM17 (0.74) ADAM17TNF
SCHEMBL10201913 0.88 ADAM17 (0.74) ADAM17TNF
SCHEMBL10263149 0.88 ADAM17 (0.74) ADAM17TNF
SCHEMBL10263999 0.88 ADAM17 (0.74) ADAM17TNF
SCHEMBL10201889 0.81 ADAM17 (0.76) ADAM17TNF
SCHEMBL12150769 0.79 ADAM17 (0.71) ADAM17TNF
SCHEMBL10201907 0.78 ADAM17 (0.68) ADAM17TNF
SCHEMBL15354573 0.78 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