SCHEMBL20112718

SCHEMBL20112718

O=C(NC1(c2ccc(F)cc2)CC1)c1cc(Cl)c(-n2nc3n(c2=O)CCCC3)cc1O

nearest known ligand 0.73

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
DHODH Q02127 20/20 0.73

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
SCHEMBL29510429 0.85 DHODH (1.00) DHODH
SCHEMBL20112717 0.85 DHODH (1.00) DHODH
SCHEMBL20112698 0.80 DHODH (0.74) DHODH
SCHEMBL20112455 0.78 DHODH (0.72) DHODH
SCHEMBL20112752 0.77 DHODH (0.48) DHODH
SCHEMBL20112384 0.76 DHODH (1.00) DHODH
SCHEMBL20112385 0.76 DHODH (1.00) DHODH
SCHEMBL29510119 0.76 DHODH (1.00) DHODH
SCHEMBL8686954 0.74 DHODH (0.45) DHODH
SCHEMBL20112317 0.71 DHODH (0.71) 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