SCHEMBL28823360

SCHEMBL28823360

CCc1nn(-c2cc(OC(C)CN(C)C)c(C#N)cc2F)c(=O)n1C

nearest known ligand 0.58

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
DHODH Q02127 20/20 0.58

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
SCHEMBL20107632 1.00 DHODH (0.58) DHODH
SCHEMBL21853421 0.83 DHODH (0.70) DHODH
SCHEMBL20107898 0.83 DHODH (0.70) DHODH
SCHEMBL20107636 0.82 DHODH (0.42) DHODH
SCHEMBL20112362 0.79 DHODH (0.61) DHODH
SCHEMBL20112363 0.79 DHODH (0.61) DHODH
SCHEMBL29816521 0.79 DHODH (0.43) DHODH
SCHEMBL20108209 0.79 DHODH (0.43) DHODH
SCHEMBL21853413 0.77 DHODH (0.61) DHODH
SCHEMBL21853412 0.77 DHODH (0.61) 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
CN-115557907-A 2,4, 5-trisubstituted 1,2, 4-triazolones as DHODH inhibitors 拜耳股份有限公司 2023-01-03 CN disclosed
CN-110023302-B 2,4, 5-trisubstituted 1,2, 4-triazolones as DHODH inhibitors 拜耳股份有限公司 2022-07-26 CN disclosed