SCHEMBL7693645

SCHEMBL7693645

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

nearest known ligand 0.34

Predicted protein targets (top 15)

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 2/20 0.32
NPC1 O15118 1/20 0.31
LMNA P02545 1/20 0.31
RAB9A P51151 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
ALDH1A1 P00352 1/20 0.30
HPGD P15428 2/20 0.30
CYP1A2 P05177 1/20 0.30
CYP2C19 P33261 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
SCHEMBL7687042 0.90 ROCK2 (0.34) ROCK2ROCK1GAAMEN1KMT2A
SCHEMBL7693799 0.87 GAA (0.44) ROCK2ROCK1GAAMEN1KMT2A
SCHEMBL7694994 0.87 HPGD (0.46) ROCK2ROCK1GAATSHRNPC1
SCHEMBL7694752 0.86 ROCK2 (0.34) ROCK2ROCK1GAANPC1LMNA
SCHEMBL7693788 0.86 RAB9A (0.45) ROCK2ROCK1GAAMEN1KMT2A
SCHEMBL7694751 0.85 FAAH (0.38) GAAMEN1KMT2ANPC1RAB9A
SCHEMBL7695699 0.84 ROCK2 (0.32) ROCK2ROCK1MEN1KMT2A
SCHEMBL7693096 0.84 ROCK2 (0.31) ROCK2ROCK1
SCHEMBL7695029 0.80 PDCD1 (0.34) ROCK2ROCK1LMNA
SCHEMBL7687816 0.80 BACE1 (0.36) ROCK2ROCK1GAAALDH1A1HPGD

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