SCHEMBL20108073

SCHEMBL20108073

CC(C)(C)OC(=O)c1cc(F)c(-n2nc(C3CC3)n(CCl)c2=O)cc1F

nearest known ligand 0.47

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
DHODH Q02127 19/20 0.47
SMN1; SMN2 Q16637 1/20 0.35

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
SCHEMBL21853522 0.91 DHODH (0.53) DHODH
SCHEMBL20107874 0.88 DHODH (0.48) DHODH
SCHEMBL20107880 0.87 DHODH (0.62) DHODH
SCHEMBL20107862 0.86 DHODH (0.51) DHODH
SCHEMBL29816233 0.86 DHODH (0.51) DHODH
SCHEMBL20107613 0.82 DHODH (0.53) DHODH
SCHEMBL21853461 0.80 DHODH (0.71) DHODH
SCHEMBL21853460 0.80 DHODH (0.71) DHODH
SCHEMBL24282435 0.79 DHODH (0.54) DHODH
SCHEMBL28953501 0.77 DHODH (0.56) 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