SCHEMBL3873083

SCHEMBL3873083

CCOc1cccc(-c2cc(F)c(Nc3ncccc3C(=O)O)c(F)c2)c1.O=C(O)c1cccnc1Nc1c(F)cc(-c2cccc(OC(F)(F)F)c2)cc1F.O=C(O)c1cccnc1Nc1c(F)cc(-c2cccc(OC3CCC3)c2)cc1F.O=C(O)c1cccnc1Nc1ccc(-c2cccc(OC3CCC3)c2)cc1F.O=C(O)c1cccnc1Nc1ccc(-c2cccc(OCC(F)(F)F)c2)cc1F

nearest known ligand 0.68

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
DHODH Q02127 20/20 0.68

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
SCHEMBL3875117 0.94 DHODH (0.68) DHODH
SCHEMBL727463 0.83 DHODH (0.81) DHODH
SCHEMBL3873430 0.82 DHODH (0.82) DHODH
SCHEMBL727817 0.82 DHODH (1.00) DHODH
SCHEMBL3872768 0.82 DHODH (0.80) DHODH
SCHEMBL13974154 0.81 DHODH (0.80) DHODH
SCHEMBL728067 0.81 DHODH (0.79) DHODH
SCHEMBL729540 0.81 DHODH (1.00) DHODH
SCHEMBL728088 0.80 DHODH (0.75) DHODH
SCHEMBL729452 0.80 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-2121614-A1 AMINO NICOTINIC AND ISONICOTINIC ACID DERIVATIVES AS DHODH INHIBITORS Almirall, S.A. (ES) 2009-11-25 EP disclosed
WO-2008077639-A1 AMINO NICOTINIC AND ISONICOTINIC ACID DERIVATIVES AS DHODH INHIBITORS LABORATORIOS ALMIRALL, S.A. (ES) 2008-07-03 WO disclosed