SCHEMBL536213

SCHEMBL536213

COC(=O)c1cc(C)cc2[nH]c(-c3c(F)c(F)c(-c4ccccc4CO[Si](C)(C)C(C)(C)C)c(F)c3F)nc12

nearest known ligand 0.54

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
DHODH Q02127 20/20 0.54

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
SCHEMBL505259 0.85 DHODH (0.58) DHODH
SCHEMBL10213024 0.78 DHODH (0.80) DHODH
SCHEMBL505596 0.73 DHODH (0.63) DHODH
SCHEMBL10211970 0.71 DHODH (1.00) DHODH
SCHEMBL505170 0.71 DHODH (0.63) DHODH
SCHEMBL505260 0.70 DHODH (0.56) DHODH
SCHEMBL505407 0.69 DHODH (0.82) DHODH
SCHEMBL505258 0.69 DHODH (0.55) DHODH
SCHEMBL29100989 0.69 MRGPRX4 (0.50)
SCHEMBL30630386 0.69 MRGPRX4 (0.50)

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-2414328-A2 DIHYDROOROTATE DEHYDROGENASE INHIBITORS Merck Serono S.A. (CH) 2012-02-08 EP disclosed
WO-2010115736-A2 DIHYDROOROTATE DEHYDROGENASE INHIBITORS MERCK SERONO S.A. (CH) 2010-10-14 WO disclosed