SCHEMBL21471173

SCHEMBL21471173

O=C(Nc1c(F)cccc1Cl)c1cc(F)ccc1OCC(F)(F)F

nearest known ligand 0.57

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
DHODH Q02127 10/20 0.50
LCLAT1 Q6UWP7 2/20 0.49
TLR7 Q9NYK1 1/20 0.48
MRGPRX1 Q96LB2 1/20 0.48
NPSR1 Q6W5P4 1/20 0.47
KDM4E B2RXH2 1/20 0.46
LRRK2 Q5S007 1/20 0.46

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 0.85 DHODH (0.51) DHODHTLR7KDM4E
SCHEMBL21471180 0.83 DHODH (0.52) DHODH
SCHEMBL20107915 0.83 TLR7 (0.49) DHODHTLR7KDM4E
SCHEMBL20107888 0.80 DHODH (0.47) DHODHTLR7NPSR1KDM4E
SCHEMBL23240302 0.80 DHODH (0.52) DHODH
SCHEMBL23240320 0.78 DHODH (0.57) DHODHTLR7
SCHEMBL23240286 0.78 DHODH (0.51) DHODHTLR7
SCHEMBL23240323 0.78 DHODH (0.49) DHODHTLR7
SCHEMBL23240464 0.78 DHODH (0.50) DHODHTLR7
SCHEMBL23240282 0.78 DHODH (0.54) DHODHTLR7

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
EP-3553052-A1 5-OXO-4,5-DIHYDRO-1H-1,2,4-TRIAZOL DERIVATIVES FOR THE TREATMENT OF CANCER Bayer AG (DE) 2019-10-16 EP disclosed