SCHEMBL20107888

SCHEMBL20107888

O=C(Nc1c(Cl)cccc1Cl)c1cc(F)c(Br)cc1OCC(F)(F)F

nearest known ligand 0.54

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
DHODH Q02127 11/20 0.47
KDM4E B2RXH2 1/20 0.46
PYGL P06737 1/20 0.44
TLR7 Q9NYK1 1/20 0.43
MEN1 O00255 1/20 0.43
MAPT P10636 1/20 0.43
HTT P42858 1/20 0.43
KMT2A Q03164 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43

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
SCHEMBL20107685 0.96 DHODH (0.51) DHODHKDM4ETLR7
SCHEMBL20107970 0.90 KDM4E (0.49) DHODHKDM4EMEN1MAPTHTT
SCHEMBL25910497 0.87 DHODH (0.52) DHODHTLR7
SCHEMBL20107619 0.85 DHODH (0.46) DHODHKDM4E
SCHEMBL20107915 0.83 TLR7 (0.49) DHODHKDM4ETLR7
SCHEMBL29816423 0.81 DHODH (0.69) DHODH
SCHEMBL21853474 0.81 DHODH (0.69) DHODH
SCHEMBL20107899 0.81 DHODH (0.69) DHODH
SCHEMBL20107926 0.81 DHODH (0.53) DHODHHTT
SCHEMBL21471173 0.80 DHODH (0.50) DHODHKDM4ETLR7NPSR1

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
EP-3532468-B1 2,4,5-TRISUBSTITUTED 1,2,4-TRIAZOLONES USEFUL AS INHIBITORS OF DHODH BAYER AG (DE) 2022-03-23 EP disclosed
WO-2018077923-A1 2,4,5-TRISUBSTITUTED 1,2,4-TRIAZOLONES USEFUL AS INHIBITORS OF DHODH BAYER AKTIENGESELLSCHAFT (DE) 2018-05-03 WO disclosed