SCHEMBL20112385

SCHEMBL20112385

CC(Oc1cc(-n2nc3n(c2=O)CCCC3)c(F)cc1C(=O)NC1(c2ccc(F)cc2)CC1)C(F)(F)F

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
DHODH Q02127 20/20 1.00

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
SCHEMBL29510119 1.00 DHODH (1.00) DHODH
SCHEMBL20112384 1.00 DHODH (1.00) DHODH
SCHEMBL29510429 0.93 DHODH (1.00) DHODH
SCHEMBL20112717 0.93 DHODH (1.00) DHODH
SCHEMBL20112575 0.83 DHODH (1.00) DHODH
SCHEMBL29510489 0.83 DHODH (1.00) DHODH
SCHEMBL23185948 0.83 DHODH (1.00) DHODH
SCHEMBL20112773 0.83 DHODH (1.00) DHODH
SCHEMBL29510354 0.83 DHODH (1.00) DHODH
SCHEMBL29510238 0.83 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-2018077944-A2 4,5-ANNULATED 1,2,4-TRIAZOLONES BAYER AKTIENGESELLSCHAFT (DE) 2018-05-03 WO disclosed