SCHEMBL20112752

SCHEMBL20112752

O=C(O)c1cc(Cl)c(-n2nc3n(c2=O)CCCC3)cc1O

nearest known ligand 0.48

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
DHODH Q02127 20/20 0.48

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
SCHEMBL8686954 0.87 DHODH (0.45) DHODH
SCHEMBL20112755 0.86 DHODH (0.52) DHODH
SCHEMBL4390450 0.81 DHODH (0.51) DHODH
SCHEMBL20112122 0.81 DHODH (0.42) DHODH
SCHEMBL29512886 0.79 DHODH (0.72) DHODH
SCHEMBL20112751 0.79 DHODH (0.72) DHODH
SCHEMBL20112455 0.79 DHODH (0.72) DHODH
SCHEMBL20112698 0.78 DHODH (0.74) DHODH
SCHEMBL20112718 0.77 DHODH (0.73) DHODH
SCHEMBL20112128 0.76 DHODH (0.54) 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-2018077944-A2 4,5-ANNULATED 1,2,4-TRIAZOLONES BAYER AKTIENGESELLSCHAFT (DE) 2018-05-03 WO disclosed