SCHEMBL7690912

SCHEMBL7690912

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

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 4/20 0.43
L3MBTL1 Q9Y468 3/20 0.36
PPOX P50336 1/20 0.36
MAPT P10636 2/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
TSHR P16473 1/20 0.33
ALDH1A1 P00352 2/20 0.32
HPGD P15428 2/20 0.32
HSD17B10 Q99714 1/20 0.32
SMN1; SMN2 Q16637 2/20 0.32
NPC1 O15118 1/20 0.32
RAB9A P51151 1/20 0.32
ROCK2 O75116 1/20 0.32
ROCK1 Q13464 1/20 0.32
PKM P14618 1/20 0.31
CYP1A2 P05177 1/20 0.31
CYP2C19 P33261 1/20 0.31
LMNA P02545 1/20 0.31
NPSR1 Q6W5P4 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
SCHEMBL7693799 0.90 GAA (0.44) GAAL3MBTL1PPOXMAPTMEN1
SCHEMBL7687042 0.87 ROCK2 (0.34) GAAL3MBTL1MEN1KMT2ATSHR
SCHEMBL7688595 0.86 RAB9A (0.43) GAAL3MBTL1MAPTMEN1KMT2A
SCHEMBL7692223 0.85 FAAH (0.37) GAAL3MBTL1MAPTMEN1KMT2A
SCHEMBL7696823 0.81 PDCD1 (0.33) ROCK2ROCK1LMNA
SCHEMBL7693946 0.79 HTT (0.43) GAAL3MBTL1MAPTMEN1KMT2A
SCHEMBL7689208 0.79 ROCK2 (0.32) MEN1KMT2AROCK2ROCK1
SCHEMBL7688622 0.79 ROCK2 (0.32) MEN1KMT2AROCK2ROCK1
SCHEMBL7692995 0.79 ROCK2 (0.33) GAAALDH1A1HPGDHSD17B10ROCK2
SCHEMBL7694752 0.78 ROCK2 (0.34) GAAMAPTALDH1A1SMN1; SMN2NPC1

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