SCHEMBL7695029

SCHEMBL7695029

CON(C)C(=O)COc1cc(-c2c(CCl)[nH]c(C(F)(F)F)c2CCl)c(F)cc1Cl

nearest known ligand 0.34

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
PDCD1 Q15116 1/20 0.34
CD274 Q9NZQ7 1/20 0.34
ROCK2 O75116 1/20 0.32
ROCK1 Q13464 1/20 0.32
LMNA P02545 1/20 0.31
IDH1 O75874 1/20 0.30

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
SCHEMBL7696823 0.90 PDCD1 (0.33) PDCD1CD274ROCK2ROCK1LMNA
SCHEMBL7692292 0.88 ROCK2 (0.32) ROCK2ROCK1
SCHEMBL7695699 0.86 ROCK2 (0.32) ROCK2ROCK1
SCHEMBL7693096 0.85 ROCK2 (0.31) ROCK2ROCK1
SCHEMBL7694752 0.84 ROCK2 (0.34) ROCK2ROCK1LMNA
SCHEMBL7687816 0.81 BACE1 (0.36) ROCK2ROCK1
SCHEMBL7693799 0.81 GAA (0.44) ROCK2ROCK1LMNA
SCHEMBL7694994 0.81 HPGD (0.46) ROCK2ROCK1LMNA
SCHEMBL7693645 0.80 ROCK2 (0.34) ROCK2ROCK1LMNA
SCHEMBL7694246 0.80 HTT (0.44) LMNA

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
WO-2002070476-A1 PHENYLPYRROLES WITH A HERBICIDAL ACTIVITY ISAGRO RICERCA S.R.L. (IT) 2002-09-12 WO disclosed