SCHEMBL7688595

SCHEMBL7688595

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

nearest known ligand 0.43

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 4/20 0.43
SMN1; SMN2 Q16637 3/20 0.43
HPGD P15428 3/20 0.43
NPC1 O15118 1/20 0.43
TP53 P04637 1/20 0.43
ALDH1A1 P00352 3/20 0.37
THRB P10828 1/20 0.37
L3MBTL1 Q9Y468 2/20 0.35
MAPT P10636 1/20 0.35
ROCK2 O75116 1/20 0.32
ROCK1 Q13464 1/20 0.32
GAA P10253 2/20 0.32
HTT P42858 2/20 0.31
GLA P06280 1/20 0.31
KMT2A Q03164 2/20 0.31
MEN1 O00255 1/20 0.31
TSHR P16473 1/20 0.31
PKM P14618 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
SCHEMBL7693788 0.90 RAB9A (0.45) RAB9ASMN1; SMN2HPGDNPC1TP53
SCHEMBL7687042 0.87 ROCK2 (0.34) RAB9ASMN1; SMN2ALDH1A1L3MBTL1ROCK2
SCHEMBL7695064 0.87 ROCK2 (0.34) ALDH1A1MAPTROCK2ROCK1GAA
SCHEMBL7690912 0.86 GAA (0.43) RAB9ASMN1; SMN2HPGDNPC1ALDH1A1
SCHEMBL7692223 0.85 FAAH (0.37) RAB9AHPGDNPC1ALDH1A1L3MBTL1
SCHEMBL7696823 0.80 PDCD1 (0.33) ROCK2ROCK1
SCHEMBL7693946 0.79 HTT (0.43) RAB9ASMN1; SMN2HPGDNPC1ALDH1A1
SCHEMBL7688622 0.79 ROCK2 (0.32) ROCK2ROCK1KMT2AMEN1
SCHEMBL7692995 0.79 ROCK2 (0.33) HPGDALDH1A1ROCK2ROCK1GAA
SCHEMBL7694752 0.78 ROCK2 (0.34) RAB9ASMN1; SMN2NPC1ALDH1A1MAPT

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