SCHEMBL20108166

SCHEMBL20108166

O=C(Nc1c(F)cccc1Cl)c1cc(F)c(-n2nc(CO)n(C3CC3)c2=O)cc1OCC(F)(F)F

nearest known ligand 0.78

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
DHODH Q02127 20/20 0.78

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
SCHEMBL20108272 0.97 DHODH (0.79) DHODH
SCHEMBL20107839 0.90 DHODH (0.77) DHODH
SCHEMBL20108007 0.88 DHODH (0.78) DHODH
SCHEMBL20108251 0.88 DHODH (0.78) DHODH
SCHEMBL29815733 0.88 DHODH (1.00) DHODH
SCHEMBL20108167 0.88 DHODH (1.00) DHODH
SCHEMBL20108152 0.87 DHODH (0.77) DHODH
SCHEMBL20108033 0.86 DHODH (0.78) DHODH
SCHEMBL28953445 0.85 DHODH (0.78) DHODH
SCHEMBL20108230 0.85 DHODH (0.79) 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