SCHEMBL28306178

SCHEMBL28306178

Cc1nn(-c2cc(F)cc(F)c2)c(=O)n1Cc1ccccc1

nearest known ligand 0.56

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
ROCK2 O75116 18/20 0.56
LMNA P02545 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
SCHEMBL19643237 0.80 ROCK2 (0.63) ROCK2LMNA
SCHEMBL3179483 0.73 ROCK2 (0.50) ROCK2LMNA
SCHEMBL19643219 0.72 ROCK2 (1.00) ROCK2
SCHEMBL19643137 0.72 ROCK2 (1.00) ROCK2
SCHEMBL19643174 0.70 ROCK2 (1.00) ROCK2
SCHEMBL20985848 0.70 ROCK2 (1.00) ROCK2
SCHEMBL24327916 0.69 RGS4 (0.44)
SCHEMBL19643191 0.69 ROCK2 (0.82) ROCK2
SCHEMBL30642790 0.69 ROCK2 (0.53) ROCK2LMNA
SCHEMBL19643139 0.68 ROCK2 (1.00) ROCK2

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
CN-110023302-A 2,4, 5-trisubstituted 1,2, 4-triazolones as DHODH inhibitors 拜耳股份有限公司 2019-07-16 CN disclosed