SCHEMBL14048847

SCHEMBL14048847

CC(O)Cc1c(Cc2cccc([N+](=O)[O-])c2)c(=O)oc2cc(OC(=O)N(C)C)c(I)cc12

nearest known ligand 0.59

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
MAP2K1 Q02750 20/20 0.59
RAF1 P04049 16/20 0.54

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
SCHEMBL962153 0.91 MAP2K1 (0.59) MAP2K1RAF1
SCHEMBL12694063 0.89 MAP2K1 (0.61) MAP2K1RAF1
SCHEMBL960362 0.88 MAP2K1 (0.74) MAP2K1RAF1
SCHEMBL12694070 0.83 MAP2K1 (0.79) MAP2K1RAF1
SCHEMBL961297 0.80 MAP2K1 (0.63) MAP2K1RAF1
SCHEMBL960913 0.80 MAP2K1 (0.63) MAP2K1RAF1
SCHEMBL959760 0.80 MAP2K1 (0.63) MAP2K1RAF1
SCHEMBL963953 0.80 MAP2K1 (0.62) MAP2K1RAF1
SCHEMBL962584 0.80 MAP2K1 (0.62) MAP2K1RAF1
SCHEMBL963514 0.79 MAP2K1 (0.76) 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