SCHEMBL6570474

SCHEMBL6570474

CCCS(=O)(=O)Nc1cccc(C(N)=O)c1-c1cc(NC(=O)c2cccc(N3CCOCC3)c2)ccc1C

nearest known ligand 0.49

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 9/20 0.49
RAF1 P04049 10/20 0.48
BRAF P15056 10/20 0.48
SMO Q99835 1/20 0.46
AURKA O14965 1/20 0.46
AURKB Q96GD4 1/20 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
SCHEMBL6570486 0.95 MAPK14 (0.51) MAPK14RAF1BRAFSMOAURKA
SCHEMBL27531718 0.83 RAF1 (0.49) MAPK14RAF1BRAFAURKAAURKB
SCHEMBL27497392 0.83 RAF1 (0.55) MAPK14RAF1BRAFAURKAAURKB
SCHEMBL27483070 0.83 RAF1 (0.55) MAPK14RAF1BRAFAURKAAURKB
SCHEMBL27554443 0.82 RAF1 (0.50) MAPK14RAF1BRAFAURKAAURKB
SCHEMBL6487599 0.81 MAPK14 (0.61) MAPK14RAF1BRAFSMO
SCHEMBL27552740 0.77 RAF1 (0.55) MAPK14RAF1BRAFSMO
SCHEMBL6570467 0.76 MAPK14 (0.49) MAPK14RAF1BRAFSMO
SCHEMBL6533294 0.75 MAPK14 (0.63) MAPK14RAF1BRAFSMO
SCHEMBL6571676 0.75 MAPK14 (0.47) MAPK14RAF1BRAFSMOAURKA

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
EP-1077931-B1 BENZAMIDE DERIVATIVES FOR THE TREATMENT OF DISEASES MEDIATED BY CYTOKINES ASTRAZENECA AB (SE) 2004-11-17 EP disclosed