SCHEMBL2825696

SCHEMBL2825696

CCN(C)c1ncc(Nc2ccc(C)cc2C(=O)O)cc1C.CCN(CC)c1ncc(Nc2ccc(C)cc2C(=O)O)cc1C.COCCN(C)c1ncc(Nc2ccc(C)cc2C(=O)O)cc1C.O=C(O)c1cc(C2CC2)ccc1Nc1ccc(-c2ccncc2F)nc1

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
SCHEMBL468459 0.78 DHODH (0.79) DHODH
SCHEMBL468497 0.76 DHODH (0.55) DHODH
SCHEMBL468556 0.74 DHODH (1.00) DHODH
SCHEMBL468647 0.72 DHODH (0.60) DHODH
SCHEMBL468598 0.71 DHODH (0.61) DHODH
SCHEMBL468588 0.68 DHODH (1.00) DHODH
SCHEMBL12319877 0.68 DHODH (0.74) DHODH
SCHEMBL468555 0.67 DHODH (1.00) DHODH
SCHEMBL2712412 0.66 DHODH (0.88) DHODH
SCHEMBL676343 0.65 DHODH (1.00) 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 claimed
WO-2009021696-A1 AZABIPHENYLAMINOBENZOIC ACID DERIVATIVES AS DHODH INHIBITORS ALMIRALL, S.A. (ES) 2009-02-19 WO claimed