SCHEMBL7305961

SCHEMBL7305961

[O]c1ccc(C(F)(F)F)c2cccc(C(F)(F)F)c12

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
HSD17B10 Q99714 1/20 0.40
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
AXL P30530 1/20 0.38
KIF11 P52732 1/20 0.38
LMNA P02545 2/20 0.38
ALDH1A1 P00352 2/20 0.38
POLB P06746 2/20 0.38
HPGD P15428 1/20 0.38
HTT P42858 1/20 0.38
PARP1 P09874 1/20 0.38
GAA P10253 2/20 0.35
TDP1 Q9NUW8 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
AR P10275 2/20 0.33
SLC40A1 Q9NP59 2/20 0.33
CDC14B O60729 1/20 0.33
CDC14A Q9UNH5 1/20 0.33

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
SCHEMBL18244061 0.77 KIF11 (0.37) KDM4ESMN1; SMN2HSD17B10MEN1KMT2A
SCHEMBL18241857 0.77 KDM4E (0.43) KDM4ESMN1; SMN2HSD17B10MEN1KMT2A
SCHEMBL7181355 0.75 KDM4E (0.38) KDM4ESMN1; SMN2HSD17B10MEN1KMT2A
SCHEMBL7297470 0.74 KDM4E (0.40) KDM4ESMN1; SMN2HSD17B10MEN1KMT2A
SCHEMBL5248582 0.72 AXL (0.35) KDM4ESMN1; SMN2HSD17B10MEN1KMT2A
SCHEMBL7306542 0.72 KDM4E (0.38) KDM4ESMN1; SMN2HSD17B10MEN1KMT2A
SCHEMBL12473229 0.71 AXL (0.47) KDM4ESMN1; SMN2HSD17B10MEN1KMT2A
SCHEMBL12310598 0.71 AXL (0.47) KDM4ESMN1; SMN2HSD17B10MEN1KMT2A
SCHEMBL15933714 0.69 AXL (0.32) AXLPOLBGAA
SCHEMBL7302829 0.68

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
US-5629406-A AMINO ACID DERIVATIVES SANKYO COMPANY, LIMITED (JP) 1997-05-13 US disclosed
EP-0587311-A1 Peptides capable of inhibiting the activity of HIV protease, their preparation and their therapeutic use SANKYO COMPANY LIMITED (JP) 1994-03-16 EP disclosed