SCHEMBL536119

SCHEMBL536119

Cc1cc(C(=O)O)c2[nH]c(-c3ccc(-c4cccc(F)c4F)cc3)nc2c1

nearest known ligand 0.70

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
DHODH Q02127 19/20 0.70
HDAC6 Q9UBN7 1/20 0.43

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
SCHEMBL505255 0.91 DHODH (0.69) DHODHHDAC6
SCHEMBL505241 0.89 DHODH (0.68) DHODH
SCHEMBL536113 0.85 DHODH (0.58) DHODHHDAC6
SCHEMBL536117 0.85 DHODH (0.60) DHODHHDAC6
SCHEMBL505568 0.83 DHODH (0.70) DHODHHDAC6
SCHEMBL536118 0.83 DHODH (0.52) DHODH
SCHEMBL505388 0.83 DHODH (1.00) DHODH
SCHEMBL10212238 0.82 DHODH (0.64) DHODH
SCHEMBL505932 0.82 DHODH (0.71) DHODHHDAC6
SCHEMBL505320 0.79 DHODH (0.70) DHODHHDAC6

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-2414328-A2 DIHYDROOROTATE DEHYDROGENASE INHIBITORS Merck Serono S.A. (CH) 2012-02-08 EP disclosed