SCHEMBL14219845

SCHEMBL14219845

C=Cc1cc(C)cnc1Nc1c(C(=O)NOC(C)(C)C)cc(Br)c(F)c1F

nearest known ligand 0.35

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
MAP2K2 P36507 1/20 0.35
MAP2K1 Q02750 1/20 0.35
DHODH Q02127 1/20 0.31
PTGS2 P35354 1/20 0.30

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
SCHEMBL14219856 0.85 MAP2K1 (0.39) MAP2K2MAP2K1DHODH
SCHEMBL14220124 0.85 MAP2K2 (0.36) MAP2K2MAP2K1PTGS2
SCHEMBL14223203 0.81 KDM4E (0.36) MAP2K2MAP2K1DHODHPTGS2
SCHEMBL14220128 0.80 PTGS2 (0.37) MAP2K2MAP2K1DHODHPTGS2
SCHEMBL14219853 0.78 MAP2K1 (0.40) MAP2K2MAP2K1DHODH
SCHEMBL14219642 0.77 TDP1 (0.39) MAP2K1DHODHPTGS2
SCHEMBL14220111 0.76 ALDH1A1 (0.40) MAP2K1DHODH
SCHEMBL14219646 0.76 MEN1 (0.39) MAP2K2MAP2K1DHODH
SCHEMBL14219614 0.76 MAP2K1 (0.42) MAP2K2MAP2K1
SCHEMBL14219656 0.75 PTGS2 (0.41) MAP2K2MAP2K1DHODHPTGS2

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-1908751-A1 N-hydroxy benzamides with antitumour activity EOS S.p.A. (IT) 2008-04-09 EP disclosed