SCHEMBL7693799

SCHEMBL7693799

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

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 4/20 0.44
L3MBTL1 Q9Y468 2/20 0.37
PPOX P50336 1/20 0.36
MAPT P10636 2/20 0.34
CYP1A2 P05177 1/20 0.33
CYP2C19 P33261 1/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
TSHR P16473 1/20 0.33
ALDH1A1 P00352 2/20 0.33
HPGD P15428 1/20 0.33
HSD17B10 Q99714 1/20 0.33
NPC1 O15118 1/20 0.32
RAB9A P51151 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
ROCK2 O75116 1/20 0.32
ROCK1 Q13464 1/20 0.32
HDAC4 P56524 1/20 0.32
HDAC6 Q9UBN7 1/20 0.32
PKM P14618 1/20 0.32

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
SCHEMBL7690912 0.90 GAA (0.43) GAAL3MBTL1PPOXMAPTCYP1A2
SCHEMBL7693645 0.87 ROCK2 (0.34) GAAL3MBTL1CYP1A2CYP2C19MEN1
SCHEMBL7694994 0.86 HPGD (0.46) GAACYP1A2CYP2C19TSHRHPGD
SCHEMBL7694752 0.85 ROCK2 (0.34) GAAMAPTCYP1A2ALDH1A1NPC1
SCHEMBL7693788 0.85 RAB9A (0.45) GAAL3MBTL1MAPTMEN1KMT2A
SCHEMBL7693096 0.83 ROCK2 (0.31) ROCK2ROCK1
SCHEMBL7695029 0.81 PDCD1 (0.34) ROCK2ROCK1LMNA
SCHEMBL7687816 0.79 BACE1 (0.36) GAACYP2C19ALDH1A1HPGDHSD17B10
SCHEMBL7695699 0.78 ROCK2 (0.32) MEN1KMT2AROCK2ROCK1
SCHEMBL7692292 0.78 ROCK2 (0.32) MEN1KMT2AROCK2ROCK1

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