SCHEMBL2824850

SCHEMBL2824850

CCOc1cccc(-c2ccc(Nc3ccccc3C(=O)O)cn2)c1.COc1cccc(-c2ccc(Nc3ccccc3C(=O)O)cn2)c1.Cc1ccc(Nc2ccc(-c3ccncc3Cl)nc2)c(C(=O)O)c1.Cc1ccc(Nc2cnc(-c3ccccn3)c(C)c2)c(C(=O)O)c1.Cc1ccc(Nc2cnc(F)c(F)c2)c(C(=O)O)c1

nearest known ligand 0.55

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
DHODH Q02127 20/20 0.55

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
SCHEMBL2826385 0.82 DHODH (0.66) DHODH
SCHEMBL2827579 0.77 DHODH (0.67) DHODH
SCHEMBL2821438 0.77 DHODH (0.66) DHODH
SCHEMBL2826387 0.75 DHODH (0.56) DHODH
SCHEMBL468466 0.74 DHODH (1.00) DHODH
SCHEMBL2820987 0.72 DHODH (0.64) DHODH
SCHEMBL468575 0.72 DHODH (1.00) DHODH
SCHEMBL468546 0.72 DHODH (0.80) DHODH
SCHEMBL676343 0.72 DHODH (1.00) DHODH
SCHEMBL2821442 0.71 DHODH (0.57) 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