SCHEMBL7694752

SCHEMBL7694752

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

nearest known ligand 0.34

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ROCK2 O75116 1/20 0.34
ROCK1 Q13464 1/20 0.34
LMNA P02545 5/20 0.33
ALDH1A1 P00352 2/20 0.33
MAPT P10636 2/20 0.33
BLM P54132 1/20 0.33
GPR55 Q9Y2T6 1/20 0.33
GAA P10253 1/20 0.32
NPC1 O15118 1/20 0.31
RAB9A P51151 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
CYP1A2 P05177 1/20 0.30
CYP2C9 P11712 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
SCHEMBL7695064 0.91 ROCK2 (0.34) ROCK2ROCK1LMNAALDH1A1MAPT
SCHEMBL7694994 0.87 HPGD (0.46) ROCK2ROCK1LMNAGAANPC1
SCHEMBL7693645 0.86 ROCK2 (0.34) ROCK2ROCK1LMNAALDH1A1GAA
SCHEMBL7693096 0.86 ROCK2 (0.31) ROCK2ROCK1
SCHEMBL7693799 0.85 GAA (0.44) ROCK2ROCK1LMNAALDH1A1MAPT
SCHEMBL7693788 0.84 RAB9A (0.45) ROCK2ROCK1LMNAALDH1A1MAPT
SCHEMBL7695029 0.84 PDCD1 (0.34) ROCK2ROCK1LMNA
SCHEMBL7694751 0.84 FAAH (0.38) ALDH1A1MAPTGAANPC1RAB9A
SCHEMBL7687816 0.82 BACE1 (0.36) ROCK2ROCK1ALDH1A1GAA
SCHEMBL7692292 0.81 ROCK2 (0.32) ROCK2ROCK1

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