SCHEMBL14048841

SCHEMBL14048841

CC(=O)Oc1cc2oc(=O)c(Cc3cccc(NS(=O)(=O)N(C)C)c3)c(C)c2cc1Cl

nearest known ligand 0.89

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
MAP2K1 Q02750 20/20 0.89
RAF1 P04049 18/20 0.89

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
SCHEMBL959160 0.94 MAP2K1 (1.00) MAP2K1RAF1
SCHEMBL959710 0.93 MAP2K1 (0.98) MAP2K1RAF1
SCHEMBL960374 0.93 MAP2K1 (0.98) MAP2K1RAF1
SCHEMBL12694004 0.93 MAP2K1 (0.86) MAP2K1RAF1
SCHEMBL963130 0.87 MAP2K1 (0.75) MAP2K1RAF1
SCHEMBL960204 0.86 MAP2K1 (1.00) MAP2K1RAF1
SCHEMBL959662 0.86 MAP2K1 (1.00) MAP2K1RAF1
SCHEMBL962011 0.85 MAP2K1 (0.98) MAP2K1RAF1
SCHEMBL961451 0.85 MAP2K1 (0.98) MAP2K1RAF1
Hydrochloric Acid SCHEMBL960106 0.85 MAP2K1 (0.83) MAP2K1RAF1

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-1982982-A1 NOVEL COUMARIN DERIVATIVE HAVING ANTITUMOR ACTIVITY CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2008-10-22 EP disclosed