SCHEMBL9943405

SCHEMBL9943405

Cc1ccc(C(=O)O)c(Nc2ccc(-c3cccc(OCC(F)(F)F)c3)cc2F)n1

nearest known ligand 0.61

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
DHODH Q02127 19/20 0.61
NR4A2 P43354 3/20 0.42
JAK2 O60674 1/20 0.41
JAK3 P52333 1/20 0.41

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
SCHEMBL728067 0.86 DHODH (0.79) DHODH
SCHEMBL9943404 0.81 DHODH (0.58) DHODHNR4A2
SCHEMBL3728325 0.79 DHODH (0.67) DHODHJAK2JAK3
SCHEMBL729452 0.76 DHODH (1.00) DHODH
SCHEMBL728088 0.74 DHODH (0.75) DHODH
SCHEMBL729533 0.74 DHODH (1.00) DHODH
SCHEMBL290518 0.73 DHODH (0.81) DHODH
SCHEMBL18109142 0.72 DHODH (0.72) DHODH
SCHEMBL3873430 0.72 DHODH (0.82) DHODH
SCHEMBL727910 0.72 DHODH (0.80) DHODHNR4A2

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-2121614-B1 AMINO NICOTINIC AND ISONICOTINIC ACID DERIVATIVES AS DHODH INHIBITORS ALMIRALL SA (ES) 2012-06-20 EP disclosed