SCHEMBL20107607

SCHEMBL20107607

CCCCOc1cc(Br)c(F)cc1C(=O)Nc1c(C)cccc1F

nearest known ligand 0.47

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
DHODH Q02127 16/20 0.47
PDE4D Q08499 1/20 0.47
PTPN1 P18031 1/20 0.44
HTT P42858 1/20 0.43
RECQL P46063 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
SCHEMBL20107926 0.88 DHODH (0.53) DHODHPDE4DHTTRECQL
SCHEMBL20107619 0.86 DHODH (0.46) DHODH
SCHEMBL29816495 0.83 DHODH (0.64) DHODH
SCHEMBL28823391 0.83 DHODH (0.64) DHODH
SCHEMBL20107606 0.83 DHODH (0.64) DHODH
SCHEMBL20108206 0.83 DHODH (0.49) DHODHPDE4DHTTRECQL
SCHEMBL28953490 0.79 DHODH (0.47) DHODH
SCHEMBL21853394 0.79 DHODH (0.63) DHODH
SCHEMBL29816301 0.79 DHODH (0.63) DHODH
SCHEMBL20107615 0.79 DHODH (0.63) 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 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