SCHEMBL14219614

SCHEMBL14219614

C=Cc1cc(C)cnc1Nc1c(C(=O)NOCCO)cc(F)c(F)c1F

nearest known ligand 0.42

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
MAP2K1 Q02750 20/20 0.42
MAP2K2 P36507 2/20 0.41
ABCB11 O95342 1/20 0.41
NQO2 P16083 1/20 0.41

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
SCHEMBL14219646 0.89 MEN1 (0.39) MAP2K1MAP2K2ABCB11NQO2
SCHEMBL14223214 0.86 MEN1 (0.55) MAP2K1MAP2K2
SCHEMBL14220176 0.85 MAP2K1 (0.47) MAP2K1MAP2K2ABCB11NQO2
SCHEMBL14220111 0.81 ALDH1A1 (0.40) MAP2K1
SCHEMBL14220113 0.80 MAP2K1 (0.49) MAP2K1MAP2K2ABCB11NQO2
SCHEMBL14220160 0.80 MAP2K1 (0.49) MAP2K1MAP2K2ABCB11NQO2
SCHEMBL14219652 0.80 MAP2K1 (0.43) MAP2K1MAP2K2ABCB11NQO2
SCHEMBL14219661 0.80 MAP2K1 (0.33) MAP2K1MAP2K2
SCHEMBL14219856 0.80 MAP2K1 (0.39) MAP2K1MAP2K2ABCB11NQO2
SCHEMBL14222856 0.79 MEN1 (0.40) MAP2K1MAP2K2ABCB11NQO2

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