SCHEMBL20107701

SCHEMBL20107701

C[C@H](Oc1cc(-n2nc(C3CC3)n(CCl)c2=O)c(F)cc1C(=O)Nc1c(F)cccc1F)C(F)(F)F

nearest known ligand 0.88

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
DHODH Q02127 20/20 0.88

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
SCHEMBL21853388 0.94 DHODH (1.00) DHODH
SCHEMBL21853389 0.94 DHODH (1.00) DHODH
SCHEMBL20107675 0.90 DHODH (1.00) DHODH
SCHEMBL29815494 0.90 DHODH (1.00) DHODH
SCHEMBL20107624 0.90 DHODH (1.00) DHODH
SCHEMBL21853418 0.90 DHODH (1.00) DHODH
SCHEMBL29815482 0.90 DHODH (1.00) DHODH
SCHEMBL20107704 0.88 DHODH (0.68) DHODH
SCHEMBL20108220 0.87 DHODH (1.00) DHODH
SCHEMBL20107797 0.87 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2018077923-A1 2,4,5-TRISUBSTITUTED 1,2,4-TRIAZOLONES USEFUL AS INHIBITORS OF DHODH BAYER AKTIENGESELLSCHAFT (DE) 2018-05-03 WO disclosed