SCHEMBL7693151

SCHEMBL7693151

O=C(COc1cc(-c2c(CCl)[nH]c(C(F)(F)F)c2CCl)c(F)cc1Cl)N1CCOCC1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FKBP1A P62942 5/20 0.52
MEN1 O00255 3/20 0.41
KMT2A Q03164 3/20 0.41
SMN1; SMN2 Q16637 3/20 0.41
GAA P10253 2/20 0.41
TSHR P16473 2/20 0.41
MAPK1 P28482 1/20 0.41
KDM4E B2RXH2 2/20 0.39
ALDH1A1 P00352 1/20 0.39
GLA P06280 1/20 0.39
IDH1 O75874 1/20 0.39
PDCD1 Q15116 1/20 0.37
CD274 Q9NZQ7 1/20 0.37
HDAC1 Q13547 1/20 0.37
HDAC8 Q9BY41 1/20 0.37
HDAC6 Q9UBN7 1/20 0.37
HDAC5 Q9UQL6 1/20 0.37
PDK2 Q15119 1/20 0.36
MAPT P10636 1/20 0.36
HTT P42858 1/20 0.36

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
SCHEMBL7694246 0.92 HTT (0.44) FKBP1AMEN1KMT2ASMN1; SMN2GAA
SCHEMBL7690096 0.91 HPGD (0.45) FKBP1AMEN1KMT2ASMN1; SMN2GAA
SCHEMBL7694737 0.90 FKBP1A (0.50) FKBP1AMEN1KMT2ASMN1; SMN2GAA
SCHEMBL7693096 0.83 ROCK2 (0.31)
SCHEMBL7693946 0.81 HTT (0.43) FKBP1AMEN1KMT2ASMN1; SMN2GAA
SCHEMBL7694752 0.78 ROCK2 (0.34) SMN1; SMN2GAAALDH1A1MAPT
SCHEMBL7695029 0.78 PDCD1 (0.34) IDH1PDCD1CD274
SCHEMBL7687816 0.77 BACE1 (0.36) GAAKDM4EALDH1A1GLA
SCHEMBL7693149 0.77 FKBP1A (0.53) FKBP1AMEN1KMT2ASMN1; SMN2GAA
SCHEMBL7693645 0.76 ROCK2 (0.34) MEN1KMT2ASMN1; SMN2GAATSHR

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