SCHEMBL7687042

SCHEMBL7687042

C#CCNC(=O)COc1cc(-c2c(CCCl)[nH]c(C(F)(F)F)c2CCCl)c(F)cc1Cl

nearest known ligand 0.34

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ROCK2 O75116 1/20 0.34
ROCK1 Q13464 1/20 0.34
GAA P10253 1/20 0.32
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
TSHR P16473 1/20 0.31
ALDH1A1 P00352 1/20 0.31
PKM P14618 1/20 0.31
HTT P42858 1/20 0.31
RAB9A P51151 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31

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
SCHEMBL7693645 0.90 ROCK2 (0.34) ROCK2ROCK1GAAMEN1KMT2A
SCHEMBL7695064 0.87 ROCK2 (0.34) ROCK2ROCK1GAAALDH1A1
SCHEMBL7690912 0.87 GAA (0.43) ROCK2ROCK1GAAMEN1KMT2A
SCHEMBL7688595 0.87 RAB9A (0.43) ROCK2ROCK1GAAMEN1KMT2A
SCHEMBL7692223 0.86 FAAH (0.37) ROCK2ROCK1GAAMEN1KMT2A
SCHEMBL7689208 0.84 ROCK2 (0.32) ROCK2ROCK1MEN1KMT2A
SCHEMBL7696823 0.80 PDCD1 (0.33) ROCK2ROCK1
SCHEMBL7693946 0.80 HTT (0.43) GAAMEN1KMT2AL3MBTL1TSHR
SCHEMBL7692995 0.79 ROCK2 (0.33) ROCK2ROCK1GAAALDH1A1
SCHEMBL7694752 0.78 ROCK2 (0.34) ROCK2ROCK1GAAALDH1A1RAB9A

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