SCHEMBL8499174

SCHEMBL8499174

FC(F)(F)c1cccc(I)c1I

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.37
SMN1; SMN2 Q16637 2/20 0.37
HSD17B10 Q99714 1/20 0.37
ALDH1A1 P00352 2/20 0.35
POLB P06746 2/20 0.35
TDP1 Q9NUW8 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
AXL P30530 1/20 0.35
KIF11 P52732 1/20 0.35
TAAR1 Q96RJ0 1/20 0.35
PARP1 P09874 1/20 0.35
P2RX7 Q99572 1/20 0.34
CES1 P23141 1/20 0.34
IDO1 P14902 2/20 0.33
CA2 P00918 1/20 0.33
LMNA P02545 2/20 0.32
PNMT P11086 1/20 0.32
CHRNB2 P17787 1/20 0.32
CHRNA4 P43681 1/20 0.32
PDK2 Q15119 1/20 0.32

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
SCHEMBL7597167 0.87 ALDH1A1 (0.39) KDM4ESMN1; SMN2HSD17B10ALDH1A1POLB
SCHEMBL29673099 0.79 ALDH1A1 (0.43) KDM4ESMN1; SMN2HSD17B10ALDH1A1POLB
SCHEMBL11526 0.79 ALDH1A1 (0.43) KDM4ESMN1; SMN2HSD17B10ALDH1A1POLB
SCHEMBL30364632 0.78 MPL (0.40) KDM4ESMN1; SMN2HSD17B10ALDH1A1POLB
SCHEMBL6992159 0.78 HSD11B1 (0.40) KDM4ESMN1; SMN2HSD17B10ALDH1A1POLB
SCHEMBL12326344 0.78 MPL (0.40) KDM4ESMN1; SMN2HSD17B10ALDH1A1POLB
SCHEMBL12327631 0.78 HSD11B1 (0.38) KDM4ESMN1; SMN2HSD17B10ALDH1A1POLB
SCHEMBL29163752 0.77 NOTUM (0.37) POLBGAA
SCHEMBL2264731 0.77
SCHEMBL25434956 0.76 SMN1; SMN2 (0.42) KDM4ESMN1; SMN2HSD17B10ALDH1A1POLB

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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0354078-B1 DERIVATIVES OF BENZOCYCLOHEPTENE, METHOD FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING SAME ADIR ET COMPAGNIE (FR) 1993-03-10 EP claimed
EP-0354078-A2 Derivatives of benzocycloheptene, method for their preparation and pharmaceutical compositions containing same ADIR ET COMPAGNIE (FR) 1990-02-07 EP claimed
EP-0956312-A1 PROCESS FOR PRODUCING PHENYLENE-CONTAINING POLYMER AND FILM-FORMING MATERIAL JSR Corporation (JP) 1999-11-17 EP disclosed
WO-1998033836-A1 PROCESS FOR PRODUCING PHENYLENE-CONTAINING POLYMER AND FILM-FORMING MATERIAL JSR CORPORATION (JP) 1998-08-06 WO disclosed
EP-0354078-B1 DERIVATIVES OF BENZOCYCLOHEPTENE, METHOD FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING SAME ADIR ET COMPAGNIE (FR) 1993-03-10 EP disclosed
EP-0354078-A2 Derivatives of benzocycloheptene, method for their preparation and pharmaceutical compositions containing same ADIR ET COMPAGNIE (FR) 1990-02-07 EP disclosed
EP-0113625-B1 PROCESS FOR THE PREPARATION OF TRIFLUOROMETHYLATED BENZENIC COMPOUNDS RHONE-POULENC CHIMIE (FR) 1985-07-10 EP disclosed
EP-0113625-A1 Process for the preparation of trifluoromethylated benzenic compounds RHONE-POULENC CHIMIE (FR) 1984-07-18 EP disclosed