SCHEMBL20108225

SCHEMBL20108225

CC(Oc1cc(-n2nc(C3CCC3)n(C)c2=O)c(F)cc1C(=O)Nc1ccccc1F)C(F)(F)F

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
DHODH Q02127 20/20 1.00

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
SCHEMBL20108224 1.00 DHODH (1.00) DHODH
SCHEMBL29815739 0.97 DHODH (1.00) DHODH
SCHEMBL20108078 0.97 DHODH (1.00) DHODH
SCHEMBL20108220 0.92 DHODH (1.00) DHODH
SCHEMBL20108216 0.92 DHODH (1.00) DHODH
SCHEMBL29815325 0.90 DHODH (1.00) DHODH
SCHEMBL20107797 0.90 DHODH (1.00) DHODH
SCHEMBL20108027 0.89 DHODH (1.00) DHODH
SCHEMBL20108026 0.89 DHODH (1.00) DHODH
SCHEMBL29815853 0.89 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-3532468-B1 2,4,5-TRISUBSTITUTED 1,2,4-TRIAZOLONES USEFUL AS INHIBITORS OF DHODH BAYER AG (DE) 2022-03-23 EP disclosed
WO-2018077923-A1 2,4,5-TRISUBSTITUTED 1,2,4-TRIAZOLONES USEFUL AS INHIBITORS OF DHODH BAYER AKTIENGESELLSCHAFT (DE) 2018-05-03 WO disclosed