SCHEMBL2820987

SCHEMBL2820987

CCOc1ccc(F)c(-c2ccc(Nc3ccccc3C(=O)O)cn2)c1.CCOc1cccc(-c2cc(C)c(Nc3ccc(C)cc3C(=O)O)cn2)c1.CCOc1cccc(-c2cc(C)c(Nc3ccccc3C(=O)O)cn2)c1.CCOc1cccc(-c2ccc(Nc3ccc(Br)cc3C(=O)O)cn2)c1.CCOc1cccc(-c2ccc(Nc3ccc(Cl)cc3C(=O)O)cn2)c1

nearest known ligand 0.64

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
DHODH Q02127 19/20 0.64

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
SCHEMBL2825608 0.84 DHODH (0.73) DHODH
SCHEMBL468524 0.80 DHODH (1.00) DHODH
SCHEMBL468533 0.79 DHODH (0.80) DHODH
SCHEMBL468552 0.79 DHODH (0.80) DHODH
SCHEMBL468589 0.79 DHODH (1.00) DHODH
SCHEMBL468466 0.79 DHODH (1.00) DHODH
SCHEMBL468512 0.79 DHODH (0.79) DHODH
SCHEMBL2825610 0.77 DHODH (0.61) DHODH
SCHEMBL468440 0.77 DHODH (0.81) DHODH
SCHEMBL468546 0.76 DHODH (0.80) DHODH

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2178840-A1 AZABIPHENYLAMINOBENZOIC ACID DERIVATIVES AS DHODH INHIBITORS Almirall, S.A. (ES) 2010-04-28 EP disclosed
WO-2009021696-A1 AZABIPHENYLAMINOBENZOIC ACID DERIVATIVES AS DHODH INHIBITORS ALMIRALL, S.A. (ES) 2009-02-19 WO disclosed