SCHEMBL7694737

SCHEMBL7694737

O=C(COc1cc(-c2c(CCCl)[nH]c(C(F)(F)F)c2CCCl)c(F)cc1Cl)N1CCOCC1

nearest known ligand 0.50

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
FKBP1A P62942 6/20 0.50
MEN1 O00255 3/20 0.43
KMT2A Q03164 3/20 0.43
SMN1; SMN2 Q16637 3/20 0.42
GAA P10253 2/20 0.42
TSHR P16473 1/20 0.42
MAPK1 P28482 1/20 0.42
IDH1 O75874 1/20 0.39
ALDH1A1 P00352 2/20 0.38
KDM4E B2RXH2 2/20 0.38
GLA P06280 1/20 0.38
HSD17B10 Q99714 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
SCHEMBL7693946 0.92 HTT (0.43) FKBP1AMEN1KMT2ASMN1; SMN2GAA
SCHEMBL7693151 0.90 FKBP1A (0.52) FKBP1AMEN1KMT2ASMN1; SMN2GAA
SCHEMBL7694246 0.81 HTT (0.44) FKBP1AMEN1KMT2ASMN1; SMN2GAA
SCHEMBL7690096 0.81 HPGD (0.45) FKBP1AMEN1KMT2ASMN1; SMN2GAA
SCHEMBL7695064 0.81 ROCK2 (0.34) GAAALDH1A1
SCHEMBL7696823 0.79 PDCD1 (0.33) IDH1
SCHEMBL7692223 0.78 FAAH (0.37) MEN1KMT2AGAAALDH1A1
SCHEMBL7692995 0.78 ROCK2 (0.33) GAAALDH1A1KDM4EGLAHSD17B10
SCHEMBL7687042 0.78 ROCK2 (0.34) MEN1KMT2ASMN1; SMN2GAATSHR
SCHEMBL7693149 0.77 FKBP1A (0.53) FKBP1AMEN1KMT2ASMN1; SMN2GAA

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