SCHEMBL8914778

SCHEMBL8914778

Cc1c[nH]c2c(O)cc3c(c12)C(CCl)CN3C(=O)CCCCCNC(=O)OC(C)(C)C

nearest known ligand 0.42

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ADH1A P07327 2/20 0.42
KIT P10721 2/20 0.42
FLT1 P17948 2/20 0.42
KDR P35968 2/20 0.42
ABL2 P42684 2/20 0.42
FLT4 P35916 1/20 0.42
HDAC8 Q9BY41 2/20 0.34
DRD2 P14416 5/20 0.34
TDP1 Q9NUW8 1/20 0.33
PIM1 P11309 1/20 0.32
PIM3 Q86V86 1/20 0.32
MAN2B1 O00754 1/20 0.32
SIGMAR1 Q99720 1/20 0.32
MIF P14174 1/20 0.32
CYP3A4 P08684 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
SCHEMBL8913783 0.82 ADH1A (0.38) ADH1AKITFLT1KDRABL2
SCHEMBL9382386 0.76 ADH1A (0.42) ADH1AKITFLT1KDRABL2
SCHEMBL16942222 0.73 ADH1A (0.39) ADH1AKITFLT1KDRABL2
SCHEMBL16802230 0.72 LEF1 (0.43)
SCHEMBL16946444 0.70 ADH1A (0.37) ADH1AKITFLT1KDRABL2
SCHEMBL16941996 0.67 ADH1A (0.31) ADH1AKITFLT1KDRABL2
SCHEMBL16933119 0.67 ADH1A (0.53) ADH1AKITFLT1KDRABL2
SCHEMBL16941959 0.67 TLR9 (0.34) ADH1AKITFLT1KDRABL2
SCHEMBL7482550 0.67 TLR9 (0.34) ADH1AKITFLT1KDRABL2
SCHEMBL16933087 0.67 ADH1A (0.39) ADH1AKITFLT1KDRABL2

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
US-5659022-A Oligonucleotide-cyclopropapyrroloindole conjugates as sequence specific hybridization and crosslinking agents for nucleic acids EPOCH PHARMACEUTICALS, INC. (US) 1997-08-19 US disclosed