SCHEMBL20108240

SCHEMBL20108240

CC(C)CC(C)Oc1cc(-n2nc(C(C)C)n(C)c2=O)c(F)cc1C(=O)Nc1ccncc1

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
SCHEMBL20108248 1.00 DHODH (1.00) DHODH
SCHEMBL20108267 0.92 DHODH (0.86) DHODH
SCHEMBL20108270 0.92 DHODH (0.86) DHODH
SCHEMBL20107794 0.89 DHODH (1.00) DHODH
SCHEMBL20107793 0.89 DHODH (1.00) DHODH
SCHEMBL20107921 0.87 DHODH (1.00) DHODH
SCHEMBL20107922 0.87 DHODH (1.00) DHODH
SCHEMBL20108054 0.86 DHODH (1.00) DHODH
SCHEMBL20108055 0.86 DHODH (1.00) DHODH
SCHEMBL21853521 0.85 DHODH (0.76) 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